253
Figure 6.1.A beta carbon Cl
Si         0.24270       -2.09350        0.07420
Si        -3.10430        0.41550       -1.73390
Si        -2.05670       -2.82360        0.19110
Si        -3.02880        0.37520        2.19780
Si        -3.50160       -0.91230        0.22390
Si        -0.82330        1.11380       -1.83270
Si        -0.71050        1.08580        2.04150
Si         0.79360       -0.76970        1.98310
Si        -0.30420        2.42180        0.09340
Si         0.62990       -0.77990       -1.88640
Si         1.98620        3.14150       -0.01410
Si         3.07750       -0.06250        1.88340
Si         2.91300       -0.07610       -2.00090
Si         3.40760        1.23480       -0.07940
Si         4.33130       -1.98970       -2.08100
Si         4.50520       -1.97320        1.84090
Si         4.00790       -3.26970       -0.09660
Si         1.72460       -3.97430        0.00960
Si         0.49490       -2.06970        3.94760
Si         0.12270       -2.09680       -3.79840
Si        -1.75300       -2.75060        4.05450
Si        -2.13320       -2.77490       -3.66620
Si        -2.31180       -4.10950        2.19010
Si        -2.49670       -4.13480       -1.75570
Si        -3.20110       -0.87900        4.24660
Si        -3.56700       -0.88340       -3.69830
Si         3.58570        1.24360        3.81220
Si         3.24190        1.22140       -3.97520
Si         2.12780        3.11100        3.79960
Si         1.80940        3.10600       -3.85180
Si         2.49500        4.46660        1.89940
Si         2.32360        4.45280       -1.97800
Si        -4.51080        2.35390       -1.69470
Si        -4.36590        2.35490        2.25720
Si        -4.02150        3.63130        0.26170
Si        -1.74160        4.32660        0.15140
Si        -0.45090        2.43020       -3.77830
Si        -0.13010        2.42790        3.92460
Si         0.46610       -0.77730       -5.73620
Si        -1.37020        5.64520       -1.79610
Si        -0.93600        1.11740       -5.68450
Si        -1.88580        4.31770       -3.69400
Si        -4.15560        3.65350       -3.65660
Si        -3.18410        0.46640       -5.60150
Si        -4.53610        2.40260       -5.63800
Si         2.71630       -0.11860       -5.84950
Si         0.89300        6.33590       -1.86780
Si         3.25640       -0.08380        5.73960
Si         4.19490       -3.28330        3.80010
Si         1.92910       -3.95570        3.85150
Si         1.00750       -0.73740        5.83840
Si         4.58650       -2.03190        5.77850
Si         1.38620       -5.29040        1.96270
Si        -0.38420        1.16540        5.90430
Si        -0.87330       -5.98550        2.04530
Si        -2.62350        0.52570        6.05920
Si         1.56330       -3.98130       -3.82880
Si         1.06050        6.34940        1.90950
Si         3.82600       -3.30910       -3.99430
Si        -1.54930        4.32660        3.98000
Si        -1.19890        5.65750        2.04740
Si         1.20960       -5.30770       -1.89080
Si        -1.04470       -6.00590       -1.74700
Si         4.03620       -2.06850       -6.00580
Si         1.41500        7.70980       -0.00350
Si        -3.81320        3.67270        4.16050
Si        -3.98460        2.45330        6.18920
Si        -1.40030       -7.35470        0.17570
C         -5.75600        2.05360        6.73660
H         -5.73730        1.48030        7.67050
H         -6.32700        2.97080        6.91760
H         -6.29050        1.46160        5.98720
C         -6.21340        1.90870        2.42150
H         -6.39840        1.33850        3.33730
H         -6.56850        1.30100        1.58660
C         -4.89350       -1.55380        4.81370
H         -4.76500       -1.93970        5.83290
H         -5.66300       -0.77550        4.84660
H         -5.26740       -2.36540        4.18880
C         -4.07560       -4.79190        2.46090
H         -4.42800       -5.36860        1.60020
H         -4.07590       -5.46260        3.32820
H         -4.79930       -3.99750        2.66410
C         -5.34710       -1.38050       -0.19350
H         -5.88400       -0.43410       -0.29980
H         -5.25220       -1.76330       -1.21510
C         -6.37080        1.89450       -1.69390
H         -6.97790        2.77510       -1.92800
H         -6.59520        1.13530       -2.44950
H         -6.71180        1.52100       -0.72410
C         -3.17490       -8.05130        0.25690
H         -3.38230       -8.66040       -0.63040
H         -3.28680       -8.69190        1.13910
C         -5.36560       -1.49490       -3.93560
H         -6.08350       -0.66930       -3.89640
H         -5.44320       -1.95020       -4.93050
H         -5.68290       -2.24930       -3.21160
C         -6.35570        2.01290       -6.00430
H         -6.93140        2.93380       -6.14600
H         -6.43100        1.42430       -6.92580
H         -6.82480        1.44060       -5.19810
C          5.82010       -1.70310       -6.53680
H          6.36260       -2.63100       -6.74750
H          5.81930       -1.09990       -7.45190
H          6.37360       -1.15240       -5.76970
C          6.16030       -1.45360       -2.23000
H          6.81420       -2.32670       -2.32050
H          6.31650       -0.83410       -3.11880
H          6.49800       -0.87840       -1.36340
C          5.04170        1.81800       -4.20920
H          5.72230        0.97990       -4.38930
H          5.09490        2.48040       -5.08130
H          5.41960        2.37180       -3.34530
C          6.33540       -1.42160        1.81590
H          7.00270       -2.28920        1.82670
H          6.58090       -0.82870        0.93050
H          6.57320       -0.81490        2.69530
C          5.22210        1.82720       -0.16060
H          5.91770        0.98570       -0.21580
H          5.39560        2.45510       -1.03850
H          5.48780        2.41630        0.72150
C          4.11420        5.09330       -2.15600
H          4.83230        4.27910       -2.28590
H          4.18360        5.74110       -3.03800
H          4.42910        5.67830       -1.28720
C          6.40880       -1.65960        6.14800
H          6.48440       -1.05180        7.05710
H          6.97130       -2.58430        6.31530
H          6.89120       -1.11020        5.33380
C          5.39300        1.85820        3.87440
H          5.52550        2.49680        4.75560
H          6.09790        1.02530        3.96100
H          5.67460        2.44180        2.99390
C          4.28810        5.12110        1.92780
H          4.49600        5.77380        1.07530
H          4.44520        5.70700        2.84100
H          5.02660        4.31540        1.91800
C          3.18500        8.41430       -0.08890
H          3.28800        9.05620       -0.97130
H          3.39350        9.02410        0.79780
H          3.94980        7.63530       -0.14990
Si         5.12010       -5.29540       -4.09010
Si         5.41300       -5.19470       -0.15330
Si         5.50060       -5.26460        3.78390
Si        -5.45230        5.64330       -3.64730
Si        -5.42020        5.56230        0.31490
Si        -5.10810        5.66020        4.25560
Si         2.80570       -7.18730        1.87920
Si         2.63310       -7.20240       -1.92290
Si        -2.62240        7.55220        2.08570
Si        -2.79060        7.54040       -1.71480
Si         0.04790       -9.21610        0.11310
Si        -0.03700        9.56770        0.05560
Si         2.28470       -8.52140        0.00350
H          3.20180       -9.69900       -0.03440
Si         5.04560       -6.46950        1.80560
Si         4.86870       -6.48060       -2.06350
H          5.93160       -7.67520        1.75210
H          5.75930       -7.68380       -2.08770
C          6.94240       -5.05090       -4.55670
H          7.45960       -6.01720       -4.55260
H          7.03620       -4.62450       -5.56110
H          7.46040       -4.38800       -3.85660
C          7.27090       -4.76330       -0.23270
H          7.59640       -4.19440        0.64390
H          7.85990       -5.68730       -0.26820
H          7.51890       -4.17530       -1.12180
C          7.35930       -5.00080        4.05480
H          7.55120       -4.55440        5.03620
H          7.88380       -5.96240        4.01480
H          7.79580       -4.34650        3.29380
Si        -2.27240        8.87240        0.16200
H         -3.19090       10.04900        0.19790
Si        -5.03280        6.82890       -1.64800
Si        -4.86240        6.84320        2.22610
H         -5.74640        8.05120        2.25420
H         -5.91730        8.03610       -1.60450
C         -6.92640        5.41260        4.73600
H         -7.00950        4.98300        5.74000
H         -7.44540        6.37810        4.73990
H         -7.44970        4.75070        4.03900
C         -7.28390        5.15530        0.39020
H         -7.86180        6.08630        0.36690
H         -7.60300        4.54270       -0.45870
H         -7.55240        4.62080        1.30660
C         -7.30450        5.41040       -3.98510
H         -7.81250        6.38100       -3.94660
H         -7.46940        4.98560       -4.98110
H         -7.78060        4.75200       -3.25190
H         -4.47680        6.50630        5.31310
H         -3.37860        3.32820        7.23830
H          3.41460       -2.90780       -7.07460
H          4.49400       -6.13660       -5.15460
H         -4.02580        3.24910       -6.75860
H         -4.90220        6.48490       -4.75270
H          4.06500       -2.86840        6.90150
H          4.99510       -6.09710        4.91710
H         -0.17160      -10.06030        1.32270
H          2.58510       -7.98710        3.12130
H          0.77060       -1.55630        7.06570
H         -2.82520       -0.28760        7.30000
H          1.70190       -4.77280        5.08290
H         -1.05690       -6.79560        3.29050
H         -1.93090       -3.58430        5.28580
H         -0.68930        1.94240       -6.90560
H         -1.65300        5.13710       -4.92270
H         -2.57140        8.34200       -2.95620
H          0.18250       10.41140       -1.15480
H          1.07630        7.13910       -3.11800
H          1.99550        3.92200       -5.09400
H          2.90970        0.70300       -7.08610
H         -2.29050        8.36100        3.29700
H         -1.19640        5.13920        5.18470
H          0.00560        2.01870        7.06710
H          0.29460       10.42370        1.23140
H          1.35790        7.16110        3.13170
H          2.39450        3.92740        5.02720
H          3.57140        0.74900        6.94300
H          0.12440       -1.60060       -6.93560
H          1.22480       -4.80460       -5.03010
H          2.30100       -8.01200       -3.13350
H         -3.49880       -0.36660       -6.80510
H         -2.43850       -3.60480       -4.87480
H         -1.34880       -6.82570       -2.96190
H         -0.28830      -10.06820       -1.06380
H         -6.82750        2.81300        2.46530
C         -6.25340       -2.37490        0.53610
H         -5.70380       -3.25650        0.86140
Cl        -6.88900       -1.63350        2.10040
N         -9.66620       -3.70190       -1.77770
C         -8.86750       -4.58040       -1.14400
C         -7.76530       -4.17120       -0.37960
C         -7.46390       -2.81510       -0.26770
C         -8.31040       -1.90390       -0.91440
C         -9.38460       -2.39720       -1.64910
H         -7.16410       -4.92960        0.10900
H         -8.15290       -0.83270       -0.84900
H        -10.05550       -1.70790       -2.16010
C         -9.62310       -8.72780       -1.54500
C        -10.29320       -7.85180       -2.40130
C        -10.06760       -6.48220       -2.27300
C         -9.17140       -6.03400       -1.29420
N         -8.52730       -6.87490       -0.46030
C         -8.75670       -8.18650       -0.59250
H         -9.76380       -9.80350       -1.60690
H        -10.97690       -8.22730       -3.15780
H        -10.56300       -5.76210       -2.91500
H         -8.22490       -8.84070        0.09750
C         -4.27600       -4.82340       -1.83380
H         -4.39970       -5.41040       -2.75120
H         -4.49210       -5.48550       -0.99030
H         -5.03280       -4.03510       -1.84450
H         -3.93640       -7.26800        0.31210
253
Figure 6.1.b alpha carbon
Si         0.24470       -2.12820       -0.06090
Si        -3.14440        0.41560       -1.98510
Si        -2.04570       -2.84680       -0.06290
Si        -3.11650        0.31420        1.97770
Si        -3.50760       -0.95070       -0.03490
Si        -0.82010        1.10890       -1.93000
Si        -0.79800        1.01740        1.94100
Si         0.69780       -0.84970        1.90240
Si        -0.33740        2.38830        0.03360
Si         0.67530       -0.76090       -1.97270
Si         1.95750        3.10660        0.04090
Si         2.98090       -0.14500        1.91510
Si         2.96160       -0.06020       -1.97430
Si         3.38310        1.20130       -0.00320
Si         4.38380       -1.97670       -2.04460
Si         4.40370       -2.06260        1.88510
Si         3.99640       -3.31020       -0.10740
Si         1.71730       -4.01410       -0.11360
Si         0.31430       -2.19640        3.82110
Si         0.27460       -2.02400       -3.94320
Si        -1.93890       -2.87580        3.81090
Si        -1.97920       -2.69830       -3.93840
Si        -2.39270       -4.19550        1.88720
Si        -2.43930       -4.08820       -2.06910
Si        -3.38500       -0.99560        3.98830
Si        -3.42880       -0.81980       -4.03040
Si         3.41060        1.11430        3.89380
Si         3.38830        1.28400       -3.89770
Si         1.96460        2.99420        3.86280
Si         1.94940        3.16420       -3.78030
Si         2.39580        4.38680        2.00370
Si         2.38980        4.47670       -1.86390
Si        -4.46130        2.42470       -1.95940
Si        -4.44280        2.30750        2.02230
Si        -4.02660        3.62380        0.06530
Si        -1.74710        4.31510        0.08260
Si        -0.31010        2.48320       -3.81220
Si        -0.29450        2.31230        3.87850
Si         0.70580       -0.65980       -5.83270
Si        -1.28420        5.68440       -1.81120
Si        -0.67650        1.24820       -5.79530
Si        -1.69740        4.40580       -3.76800
Si        -3.96200        3.76500       -3.86450
Si        -2.92370        0.61080       -5.84760
Si        -4.24660        2.56800       -5.89580
Si         2.95740       -0.00510       -5.83350
Si         0.97650        6.37610       -1.76520
Si         3.00090       -0.25840        5.77580
Si         4.01310       -3.41960        3.80050
Si         1.74740       -4.08820        3.73720
Si         0.74960       -0.91200        5.76490
Si         4.31290       -2.22060        5.82770
Si         1.30750       -5.37800        1.79070
Si        -0.63240        0.99800        5.81250
Si        -0.94820       -6.06690        1.75320
Si        -2.87810        0.36640        5.85510
Si         1.70430       -3.91530       -3.96010
Si         0.98100        6.28660        2.01130
Si         3.97150       -3.24910       -4.01340
Si        -1.70320        4.22050        3.92060
Si        -1.28130        5.59770        2.03480
Si         1.26450       -5.28730       -2.07260
Si        -1.00090       -5.97230       -2.04770
Si         4.26510       -1.96370       -5.98740
Si         1.41830        7.70180        0.15550
Si        -3.97180        3.56910        3.98730
Si        -4.22840        2.30150        5.97680
Si        -1.41380       -7.37500       -0.17580
C         -6.01850        1.90000        6.45760
H         -6.03010        1.29560        7.37190
H         -6.58790        2.81480        6.65340
H         -6.53700        1.33730        5.67510
C         -6.30620        1.88620        2.09730
H         -6.53140        1.23740        2.95090
H         -6.65600        1.39050        1.18690
C         -5.12210       -1.64770        4.48040
H         -5.10090       -1.84730        5.55830
H         -5.91460       -0.91480        4.29870
H         -5.40540       -2.58370        3.99290
C         -4.13470       -4.95210        2.09030
H         -4.44430       -5.52680        1.21240
H         -4.11590       -5.64070        2.94370
H         -4.90880       -4.20970        2.29420
C         -5.29200       -1.79490       -0.07090
Cl        -6.36580       -1.12010       -1.40180
H         -5.13340       -2.82940       -0.38120
C         -6.34250        2.14050       -2.10490
H         -6.83770        3.10330       -2.26560
H         -6.58430        1.49880       -2.95810
H         -6.77270        1.68040       -1.21370
C         -3.18930       -8.07280       -0.17810
H         -3.34130       -8.69660       -1.06640
H         -3.35180       -8.69870        0.70660
C         -5.15920       -1.47680       -4.49620
H         -5.91580       -0.68600       -4.48620
H         -5.10050       -1.87470       -5.51680
H         -5.50450       -2.27460       -3.83700
C         -6.04550        2.20640       -6.37360
H         -6.60520        3.13400       -6.53360
H         -6.07320        1.63210       -7.30690
H         -6.56170        1.62480       -5.60360
C          6.06690       -1.59980       -6.45490
H          6.60810       -2.52450       -6.68180
H          6.09510       -0.96620       -7.34910
H          6.60290       -1.07880       -5.65540
C          6.21360       -1.42740       -2.10370
H          6.87720       -2.29520       -2.17210
H          6.40700       -0.79810       -2.97800
H          6.50650       -0.85870       -1.21700
C          5.19570        1.88500       -4.03260
H          5.88950        1.05050       -4.17460
H          5.29110        2.54620       -4.90170
H          5.52340        2.44330       -3.15160
C          6.23390       -1.51470        1.94950
H          6.89940       -2.38370        1.96500
H          6.51530       -0.90030        1.08980
H          6.43730       -0.93090        2.85270
C          5.20090        1.79280        0.00140
H          5.89840        0.95120       -0.02560
H          5.41460        2.42470       -0.86480
H          5.42650        2.37810        0.89700
C          4.18480        5.12230       -1.94670
H          4.91890        4.31480       -2.00550
H          4.30140        5.74490       -2.84170
H          4.43610        5.73850       -1.07880
C          6.11520       -1.87230        6.30440
H          6.14510       -1.28600        7.23020
H          6.66330       -2.80410        6.48010
H          6.64380       -1.30710        5.53040
C          5.21630        1.71760        4.03980
H          5.31910        2.33320        4.94100
H          5.91540        0.88020        4.12950
H          5.52990        2.32250        3.18490
C          4.19070        5.02940        2.10590
H          4.43160        5.69480        1.27210
H          4.31720        5.59950        3.03380
H          4.92600        4.22090        2.10920
C          3.18950        8.41000        0.17410
H          3.33920        9.06810       -0.68970
H          3.34590        9.00470        1.08160
H          3.95930        7.63400        0.14260
Si         5.26090       -5.23950       -4.10570
Si         5.40220       -5.23740       -0.15690
Si         5.31060       -5.40850        3.79080
Si        -5.24460        5.76560       -3.86080
Si        -5.42050        5.56290        0.12180
Si        -5.25760        5.56410        4.08160
Si         2.72350       -7.27920        1.71930
Si         2.68490       -7.18770       -2.09210
Si        -2.69630        7.50070        2.06370
Si        -2.70490        7.58320       -1.74260
Si         0.02670       -9.24370       -0.22390
Si        -0.03040        9.56350        0.19890
Si         2.26820       -8.55670       -0.21440
H          3.18600       -9.73390       -0.25360
Si         4.96380       -6.56050        1.75720
Si         4.92860       -6.47420       -2.12050
H          5.86070       -7.75820        1.71360
H          5.81480       -7.68060       -2.13920
C          7.09930       -4.98770       -4.49790
H          7.61630       -5.95420       -4.50060
H          7.23050       -4.53390       -5.48600
H          7.59060       -4.34440       -3.76110
C          7.26170       -4.80430       -0.15630
H          7.55280       -4.25660        0.74560
H          7.85390       -5.72630       -0.19210
H          7.54160       -4.19450       -1.02080
C          7.15170       -5.16270        4.17600
H          7.28880       -4.75670        5.18390
H          7.67600       -6.12420        4.12730
H          7.63190       -4.48060        3.46730
Si        -2.26850        8.86900        0.18840
H         -3.19240       10.04180        0.21600
Si        -4.94930        6.87660       -1.79460
Si        -4.93930        6.79260        2.08850
H         -5.82870        7.99680        2.11200
H         -5.83530        8.08300       -1.75910
C         -7.08990        5.31690        4.50510
H         -7.20260        4.85870        5.49350
H         -7.60320        6.28520        4.52340
H         -7.59890        4.67920        3.77560
C         -7.29140        5.18200        0.13110
H         -7.85100        6.12440        0.14950
H         -7.60340        4.62510       -0.75720
H         -7.58880        4.60130        1.00970
C         -7.06950        5.57720       -4.34290
H         -7.56250        6.55550       -4.30590
H         -7.16560        5.19170       -5.36380
H         -7.61040        4.90170       -3.67300
H         -4.65140        6.38100        5.17600
H         -3.64930        3.14500        7.06570
H          3.66980       -2.77140       -7.09480
H          4.67160       -6.05240       -5.21260
H         -3.66350        3.43740       -6.96250
H         -4.60720        6.64660       -4.88570
H          3.72480       -3.08080        6.89900
H          4.73750       -6.27220        4.86700
H         -0.25770      -10.11780        0.95080
H          2.44920       -8.11030        2.92980
H          0.45490       -1.75670        6.96180
H         -3.14150       -0.48070        7.06120
H          1.46270       -4.93710        4.93460
H         -1.19880       -6.91040        2.96440
H         -2.17870       -3.73710        5.01220
H         -0.34920        2.11540       -6.96730
H         -1.37200        5.24650       -4.96070
H         -2.42840        8.41520       -2.95220
H          0.24680       10.43750       -0.97770
H          1.21770        7.20680       -2.98700
H          2.16090        4.00530       -5.00150
H          3.20910        0.84960       -7.03640
H         -2.41100        8.27480        3.30910
H         -1.39610        5.00070        5.15840
H         -0.29380        1.81920        7.01370
H          0.25150       10.38460        1.41190
H          1.23260        7.05560        3.27090
H          2.18200        3.78340        5.11730
H          3.26680        0.54340        7.01160
H          0.40740       -1.45370       -7.06320
H          1.40830       -4.70820       -5.19260
H          2.40370       -7.96990       -3.33360
H         -3.18670       -0.17650       -7.09390
H         -2.22500       -3.51560       -5.16920
H         -1.25400       -6.76010       -3.29530
H         -0.25700      -10.06080       -1.43910
H         -6.90020        2.79710        2.21980
C         -6.08610       -1.77710        1.23460
H         -5.43390       -2.21080        1.99550
H         -6.26830       -0.74580        1.54100
N         -9.84650       -3.94670        1.28290
C         -8.70550       -4.54930        0.88960
C         -7.47850       -3.87810        0.85060
C         -7.40180       -2.53490        1.22860
C         -8.59070       -1.91840        1.63640
C         -9.77240       -2.66000        1.64460
H         -6.60860       -4.43250        0.52170
H         -8.60890       -0.87500        1.93950
H        -10.70490       -2.19240        1.95900
C         -8.85940       -8.62880       -0.26320
C        -10.05810       -7.99080        0.06010
C        -10.02440       -6.65050        0.44220
C         -8.79040       -5.98640        0.48830
N         -7.63070       -6.59920        0.17690
C         -7.67910       -7.88550       -0.18730
H         -8.83270       -9.67210       -0.56640
H        -11.00330       -8.52690        0.01520
H        -10.92880       -6.11310        0.70310
H         -6.72490       -8.35020       -0.43080
C         -4.22900       -4.73480       -2.24530
H         -4.29870       -5.35470       -3.14710
H         -4.53360       -5.35380       -1.39580
H         -4.95560       -3.92350       -2.35050
H         -3.95180       -7.28900       -0.18260
251
Figure 6.1.c vinyl linker
Si         0.27080       -3.95290        1.41030
Si        -3.22220       -1.80320       -0.62100
Si        -1.94770       -4.84140        1.46980
Si        -3.24160       -1.60940        3.28730
Si        -3.52350       -3.04900        1.39850
Si        -1.00010       -0.92980       -0.66520
Si        -0.99750       -0.74680        3.19990
Si         0.61380       -2.51160        3.28230
Si        -0.64570        0.51570        1.20160
Si         0.59930       -2.70000       -0.59440
Si         1.57960        1.40000        1.14220
Si         2.83470       -1.63640        3.23410
Si         2.81670       -1.82670       -0.66250
Si         3.13210       -0.40270        1.21960
Si         4.37100       -3.63570       -0.60160
Si         4.39280       -3.44150        3.33460
Si         4.08480       -4.85070        1.43460
Si         1.86800       -5.72780        1.49170
Si         0.30330       -3.75280        5.28690
Si         0.25150       -4.13260       -2.46050
Si        -1.89810       -4.59790        5.31670
Si        -1.94980       -4.97910       -2.37920
Si        -2.24910       -6.06800        3.49090
Si        -2.26420       -6.27130       -0.41970
Si        -3.47930       -2.82810        5.32700
Si        -3.53360       -3.21530       -2.51650
Si         3.16080       -0.21760        5.12350
Si         3.10210       -0.60040       -2.68910
Si         1.58380        1.54660        4.97520
Si         1.52170        1.16910       -2.69930
Si         1.90830        2.83690        3.01610
Si         1.87310        2.63770       -0.87450
Si        -4.77480        0.00370       -0.69370
Si        -4.74710        0.24920        3.23810
Si        -4.44840        1.43610        1.19050
Si        -2.22900        2.30390        1.12600
Si        -0.68180        0.31780       -2.66620
Si        -0.61930        0.69650        5.05720
Si         0.55060       -2.88470       -4.45200
Si        -1.89930        3.55410       -0.87220
Si        -1.00590       -1.11390       -4.52550
Si        -2.26000        2.09060       -2.70790
Si        -4.47270        1.24960       -2.70220
Si        -3.20350       -1.93900       -4.48200
Si        -4.66860       -0.09310       -4.65210
Si         2.74630       -2.05780       -4.51930
Si         0.30570        4.41280       -0.90010
Si         2.83190       -1.48650        7.09370
Si         4.08700       -4.68830        5.33980
Si         1.87750       -5.52950        5.33380
Si         0.63570       -2.31250        7.13930
Si         4.28530       -3.33790        7.28180
Si         1.52880       -6.98230        3.48690
Si        -0.90980       -0.53400        7.05960
Si        -0.67710       -7.84200        3.51590
Si        -3.10570       -1.35290        7.14000
Si         1.82800       -5.90510       -2.35440
Si         0.33940        4.60850        2.88610
Si         4.03660       -5.06950       -2.47310
Si        -2.17020        2.48970        4.97060
Si        -1.86470        3.75220        2.98120
Si         1.51720       -7.17000       -0.36810
Si        -0.68210       -8.03030       -0.27410
Si         4.20320       -3.91720       -4.54390
Si         0.65140        5.90360        0.91840
Si        -4.38170        1.67400        5.11010
Si        -4.56250        0.50660        7.17070
Si        -1.00870       -9.32700        1.69010
C         -6.32680        0.03190        7.67970
H         -6.30150       -0.52720        8.62230
H         -6.94620        0.92180        7.83430
H         -6.81530       -0.59620        6.92830
C         -6.57090       -0.31080        3.36480
H         -6.73100       -0.95860        4.23330
H         -6.90250       -0.84570        2.47110
C         -5.21660       -3.57100        5.60240
H         -5.23510       -4.09460        6.56550
H         -5.98850       -2.79490        5.63600
H         -5.48910       -4.28760        4.82400
C         -3.99640       -6.81890        3.64290
H         -4.16860       -7.59050        2.88700
H         -4.11840       -7.28470        4.62760
H         -4.77240       -6.05840        3.52480
C         -5.18660       -3.95320        1.34490
H         -5.23060       -4.75950        0.61000
C         -6.54410       -0.71690       -0.67530
H         -7.29850        0.06980       -0.57740
H         -6.75310       -1.26090       -1.60240
H         -6.67570       -1.42030        0.15220
C         -2.72300      -10.16290        1.72330
H         -2.81150      -10.86420        0.88580
H         -2.85180      -10.73010        2.65220
H         -3.54510       -9.44630        1.64790
C         -5.29590       -3.94320       -2.62550
H         -6.03710       -3.16120       -2.81900
H         -5.35020       -4.66410       -3.44960
H         -5.59300       -4.45660       -1.70700
C         -6.43730       -0.60880       -5.10290
H         -7.05200        0.26690       -5.33750
H         -6.42170       -1.25460       -5.98860
H         -6.92530       -1.15980       -4.29270
C          5.96290       -3.44960       -5.07600
H          6.57600       -4.34350       -5.23280
H          5.92950       -2.89540       -6.02140
H          6.46280       -2.81960       -4.33360
C          6.15870       -2.96800       -0.71620
H          6.88200       -3.78960       -0.72660
H          6.30340       -2.39240       -1.63600
H          6.41330       -2.31620        0.12430
C          4.85580        0.12840       -2.89830
H          5.60960       -0.65990       -2.99170
H          4.89430        0.73330       -3.81190
H          5.14790        0.76840       -2.06080
C          6.17910       -2.76170        3.35550
H          6.90500       -3.57670        3.43750
H          6.41780       -2.19890        2.44880
H          6.33690       -2.09480        4.20900
C          4.90010        0.32110        1.17620
H          5.65810       -0.46640        1.20100
H          5.06550        0.90850        0.26870
H          5.08080        0.97920        2.03080
C          3.60920        3.41700       -1.02990
H          4.40170        2.66440       -1.05490
H          3.66760        3.99490       -1.95980
H          3.82360        4.09810       -0.20120
C          6.05520       -2.83030        7.73630
H          6.03880       -2.18350        8.62120
H          6.66640       -3.70760        7.97360
H          6.54670       -2.28170        6.92660
C          4.91940        0.52040        5.23300
H          4.97240        1.20790        6.08530
H          5.67380       -0.25740        5.38830
H          5.19850        1.07910        4.33520
C          3.64760        3.62360        3.07600
H          3.84490        4.23950        2.19370
H          3.72420        4.27010        3.95830
H          4.44110        2.87460        3.14220
C          2.36430        6.74170        0.86260
H          2.46480        7.33250       -0.05510
H          2.47610        7.42200        1.71480
H          3.18980        6.02520        0.89350
Si         5.48020       -6.95270       -2.43000
Si         5.62940       -6.66610        1.51660
Si         5.52990       -6.56920        5.46500
Si        -5.91340        3.13210       -2.83460
Si        -5.99270        3.25390        1.10490
Si        -5.81430        3.56790        5.06720
Si         3.09110       -8.76790        3.53960
Si         3.07860       -8.95290       -0.26730
Si        -3.42870        5.53390        2.87730
Si        -3.45710        5.34260       -0.93030
Si         0.57520      -11.07500        1.76300
Si        -0.93410        7.65020        0.84320
Si         2.75550      -10.21470        1.70310
H          3.76440      -11.31450        1.75310
Si         5.27200       -7.88200        3.51780
Si         5.25750       -8.06600       -0.35790
H          6.25220       -9.01290        3.55880
H          6.24180       -9.19270       -0.30270
C          7.29010       -6.57620       -2.85460
H          7.88640       -7.49400       -2.79690
H          7.37940       -6.18110       -3.87220
H          7.72820       -5.84540       -2.16760
C          7.45490       -6.10500        1.48900
H          7.70350       -5.48110        2.35330
H          8.11030       -6.98360        1.51230
H          7.69440       -5.53410        0.58640
C          7.34700       -6.15600        5.81940
H          7.45370       -5.66800        6.79410
H          7.94470       -7.07470        5.83680
H          7.77140       -5.49190        5.05980
Si        -3.11440        6.79100        0.90260
H         -4.12360        7.89040        0.85540
Si        -5.63930        4.46220       -0.90150
Si        -5.61040        4.65410        2.97780
H         -6.58910        5.78570        2.92050
H         -6.61850        5.59400       -0.94380
C         -7.61780        3.22600        5.54440
H         -7.68430        2.85240        6.57190
H         -8.19980        4.15290        5.48610
H         -8.08780        2.49040        4.88420
C         -7.82100        2.70330        1.13110
H         -8.46830        3.58740        1.10390
H         -8.07310        2.08120        0.26630
H         -8.06870        2.13620        2.03350
C         -7.73430        2.71580       -3.16490
H         -8.33030        3.63530       -3.18720
H         -7.85250        2.21490       -4.13160
H         -8.15060        2.06240       -2.39170
H         -5.25680        4.51450        6.07990
H         -4.02920        1.43490        8.21300
H          3.66030       -4.85640       -5.57180
H          4.96050       -7.89160       -3.47000
H         -4.14840        0.74680       -5.77320
H         -5.41990        3.94640       -3.98610
H          3.75500       -4.16550        8.40750
H          5.02630       -7.39720        6.60240
H          0.37300      -11.88420        2.99970
H          2.88510       -9.53410        4.80540
H          0.41510       -3.09630        8.39230
H         -3.29050       -2.13410        8.40390
H          1.66120       -6.30750        6.59210
H         -0.84650       -8.60960        4.78990
H         -2.07620       -5.38020        6.58140
H         -0.78840       -0.32340       -5.77480
H         -2.05680        2.86350       -3.97180
H         -3.24870        6.10300       -2.19920
H         -0.72870        8.45640       -0.39500
H          0.48070        5.17340       -2.17760
H          1.69110        1.94570       -3.96880
H          2.93340       -1.27520       -5.78200
H         -3.20600        6.42160        4.05810
H         -1.91350        3.38420        6.14080
H         -0.66780        0.37970        8.21690
H         -0.71060        8.57540        1.99190
H          0.53310        5.49580        4.07630
H          1.75780        2.43980        6.16500
H          3.03420       -0.58420        8.27130
H          0.31690       -3.79130       -5.61680
H          1.59730       -6.80520       -3.52570
H          2.85880       -9.83550       -1.45240
H         -3.41130       -2.83840       -5.66070
H         -2.14400       -5.87370       -3.56460
H         -0.87610       -8.91820       -1.46420
H          0.34690      -11.99660        0.61240
H         -7.22430        0.55860        3.48690
C         -6.28300       -3.76690        2.10860
H         -6.28150       -2.96300        2.84080
N        -10.01480       -5.90890        2.05960
C         -8.92400       -6.43190        1.46040
C         -7.68850       -5.77710        1.44170
C         -7.54650       -4.53020        2.06610
C         -8.68490       -4.00650        2.70420
C         -9.87930       -4.72210        2.66430
H         -6.85680       -6.26870        0.95460
H         -8.64520       -3.05160        3.22070
H        -10.77010       -4.32220        3.14760
C         -9.28930      -10.22490       -0.40410
C        -10.45120       -9.59770        0.04600
C        -10.34750       -8.35110        0.66130
C         -9.08130       -7.76790        0.80790
N         -7.95760       -8.37000        0.37340
C         -8.07350       -9.56590       -0.21540
H         -9.31770      -11.19750       -0.88840
H        -11.42180      -10.07020       -0.07950
H        -11.22110       -7.82650        1.02960
H         -7.14730      -10.02620       -0.55480
C         -3.98350       -7.09850       -0.52880
H         -3.95790       -7.87090       -1.30660
H         -4.27470       -7.57950        0.40920
H         -4.77060       -6.39150       -0.80430
227
Figure 6.4 Reduced
Si         -1.028157497     -5.2743159726      3.1718532317 
Si         -2.975112552     -1.8459528933      3.3760033362 
Si         -4.949698303      1.5441659143      3.4098337156 
Si         -6.938291784      4.9546781179      3.4011874607 
Si          2.870831804     -5.3141931777      3.2005846421 
Si          0.952057015     -1.8808621705      3.4314190803 
Si         -1.036706442      1.5523781178      3.5845889955 
Si         -3.006053550      4.9414321986      3.5543338010 
Si          4.855579958     -1.9088724065      3.4833151938 
Si          2.912152207      1.5061239243      3.5974979838 
Si          1.003562700      4.9254428760      3.5323635239 
Si         -2.918350558     -4.0353020588      2.4880741336 
Si         -4.856987456     -0.6590892803      2.5334901908 
Si         -6.833965921      2.7283316653      2.6046624382 
Si          0.939135232     -4.0910848122      2.5580978075 
Si         -0.999134573     -0.6852194301      2.7244186766 
Si         -2.963022215      2.6901352852      2.7404963479 
Si         -4.944594587      6.0402572457      2.7363943965 
Si          4.795283871     -4.0974326703      2.5805518731 
Si          2.925624841     -0.7216624979      2.7261973357 
Si          0.953141903      2.6446125191      2.8542467282 
Si         -1.003976865      5.9941577718      2.8680766355 
Si          6.873771988     -0.9660195355      2.6920320425 
Si          4.755511276      2.7542348332      2.8033562065 
Si         -2.904548248     -3.9392939224      0.1425672113 
Si         -4.849043312     -0.6124769666      0.1677221718 
Si         -6.772477435      2.7330708148      0.2562930386 
Si          0.963979683     -3.9901789831      0.1932392650 
Si         -0.966258514     -0.5992785177      0.3199147187 
Si         -2.907557725      2.7708166960      0.3616864006 
Si         -5.086520853      6.0847698711      0.3903488458 
Si          4.883041461     -4.0214233378      0.2214715337 
Si          2.938258694     -0.6709505653      0.3422335636 
Si          0.988614794      2.6977913052      0.4632150032 
Si         -0.800485023      6.0637165057      0.5252076425 
Si          6.816530441     -0.6806644118      0.3570596286 
Si          4.869736938      2.6867627056      0.4583899799 
Si         -4.819779150     -2.8290275587     -0.6681465868 
Si        -6.7669202764      0.5400974354     -0.6149360392 
Si         0.8222605468     -6.1841640625     -0.6817115979 
Si        -0.9512633933     -2.8065460906     -0.5903007526 
Si        -2.8893446307      0.5471302017     -0.5374128593 
Si        -4.8383739090      3.8963972775     -0.4690423357 
Si         5.1102445769     -6.2021027595     -0.6653527405 
Si         2.9418229899     -2.8885814272     -0.5729124320 
Si         1.0078667647      0.4998456618     -0.4532846892 
Si        -0.9164823700      3.8718080260     -0.3705496565 
Si         6.8083532798     -2.8628022819     -0.5386374181 
Si         4.8911875728      0.4763043253     -0.3958491704 
Si         2.9449802395      3.8087841208     -0.3098814034 
Si        -4.7008177815     -2.8760208654     -3.0134394674 
Si        -6.8025985499      0.8324775545     -2.9487226272 
Si         1.0197948829     -6.1286320515     -3.0188353428 
Si        -0.9147138992     -2.7596343751     -2.9698463191 
Si        -2.8574069870      0.6066424353     -2.9238454513 
Si        -4.7265679416      3.9754631148     -2.8243632110 
Si         4.9490716652     -6.1493439891     -3.0135618546 
Si         2.9814396899     -2.8094502182     -2.9536721865 
Si         1.0405728049      0.5832496837     -2.8421869635 
Si        -0.8769698452      3.9766473978     -2.7441146562 
Si         6.8498633514     -2.8487596957     -2.8919208149 
Si         4.8884073761      0.5257101281     -2.7654091288 
Si         2.9647131188      3.9142474695     -2.6567998108 
Si        -0.9438804253     -5.0182120596     -3.7232103121 
Si        -2.8451061899     -1.6243358531     -3.7721149767 
Si        -4.7795762586      1.7844153666     -3.7147575575 
Si         2.9877199283     -5.0522632714     -3.7700011537 
Si         1.0460669376     -1.6419097442     -3.7032744597 
Si        -0.8848400134      1.7624758976     -3.6197454927 
Si        -2.7983957981      5.1911278532     -3.4287802814 
Si         6.9369002849     -5.0693627652     -3.7037633818 
Si         4.9509048197     -1.6694973588     -3.6686533097 
Si         3.0044682397      1.7302686890     -3.5582149324 
Si         1.0880038513      5.1584043612     -3.3572698082 
C          -1.261179735     -5.2318110835     -5.5820745925 
C          -2.935968730     -1.6292860967     -5.6801777599 
C          -4.880952795      1.8590018740     -5.6192265037 
C           2.990552362     -5.1494759870     -5.6778863065 
C           1.055467719     -1.6134782000     -5.6146666050 
C          -0.845681960      1.8994806272     -5.5268842468 
C          -2.825427314      5.6827402099     -5.2614300218 
C           7.300788918     -5.1970474670     -5.5592745432 
C           5.095147877     -1.5754628450     -5.5705568874 
C           3.137321464      1.8971563386     -5.4570160327 
C          1.1869990648      5.6570889551     -5.1853329786 
C         -1.1176002512     -5.7823083895      4.9975909015 
C         -3.1380484625     -2.0085945473      5.2701747070 
C         -5.2038287922      1.4199965810      5.2969959289 
C         -7.3351410896      5.0893198341      5.2486160926 
C          2.9345388536     -5.8404369856      5.0220417667 
C          0.9478191130     -2.0740002206      5.3295642665 
C         -1.2719143416      1.8477853707      5.5047909461 
C         -3.1227787681      5.0904516350      5.4552380838 
C          4.9879579609     -1.9971700961      5.3841811133 
C          3.0767120027      1.4640502305      5.4993420207 
C          1.5341031920      5.2764976772      5.3146067501 
H         -1.0320018941     -6.5307431727      2.3656410672 
H          2.8610817566     -6.5604065469      2.3805517812 
H         -4.9468099165      7.4402876807      3.2621852856 
H         -0.9934120843      7.3939438226      3.3974055217 
H          7.9709778691     -1.9292588865      3.0028641386 
H          7.2130886805      0.2936338798      3.4055230300 
H          6.0128186580      2.2803278299      3.4417134097 
H          4.5896220063      4.1762394242      3.2188251869 
H         -4.1259970289      7.0365298358     -0.2239019130 
H         -6.4479356955      6.5557298991      0.0035871995 
H          0.5261049311      6.6467105858      0.1826155673 
H         -1.8145229498      6.9450989442     -0.1102525787 
H          8.0343479728      0.0448147059     -0.1120580705 
H          6.0878685495      3.3980708400     -0.0334766399 
H         -6.0461834329     -3.5351022569     -0.1899647251 
H         -7.9911834299     -0.1823924827     -0.1589669256 
H         -0.5107990293     -6.7537238040     -0.3431290997 
H          1.8276561455     -7.0787760808     -0.0529409180 
H          4.1491229908     -7.1588350105     -0.0595195074 
H          6.4720033690     -6.6886895810     -0.3002423152 
H         -5.9620036741     -2.4034590167     -3.6451658703 
H         -4.5257894842     -4.2885483580     -3.4591815829 
H         -7.9020959619      1.7920388061     -3.2633573079 
H         -7.1295645992     -0.4195995673     -3.6823602258 
H          1.0002788620     -7.5258070797     -3.5559474627 
H          4.9403870446     -7.5504388805     -3.5377734204 
H         -2.8123502792      6.4511767623     -2.6303110923 
H          1.0861093876      6.4183010828     -2.5562543806 
H         -4.1586460115     -4.7475867750      2.9323193621 
H         -6.0878728212     -1.3879633819      2.9769930947 
H         -8.0553470589      1.9880436968      3.0514505102 
H          8.0728586274     -2.1139968658     -3.3431552941 
H          6.1237708193      1.2461327715     -3.2107019700 
H          4.2141788493      4.6206075665     -3.0842634799 
H         -0.5414201285     -4.6814613686     -6.1958696630 
H         -1.1888622390     -6.2927815082     -5.8480358445 
H         -2.2668451023     -4.8905071752     -5.8500933089 
H         -2.1346199781     -1.0452638045     -6.1417685185 
H         -2.8703952564     -2.6515057307     -6.0662726099 
H         -3.8909294833     -1.2111433247     -6.0152742311 
H         -3.9865254168      2.3044905515     -6.0646194841 
H         -5.0107533134      0.8608028920     -6.0498048657 
H         -5.7430033588      2.4658564763     -5.9190634629 
H          3.8530911975     -4.6335226781     -6.1112022308 
H          3.0337682983     -6.1978825869     -5.9954760059 
H          2.0862879822     -4.7087570291     -6.1089214160 
H          1.9581247020     -1.1358064844     -6.0062715485 
H          1.0191906258     -2.6300683171     -6.0190989866 
H          0.1945182055     -1.0700585684     -6.0132389717 
H          0.0679344790      2.3974206661     -5.8658014138 
H         -0.8883451551      0.9207767296     -6.0132530506 
H         -1.6932810183      2.4878384461     -5.8923570511 
H         -1.9964353788      6.3577335191     -5.4986674817 
H         -2.7563044335      4.8143262130     -5.9237328230 
H         -3.7606033193      6.2071573434     -5.4895814239 
H          8.2496952856     -4.7025551538     -5.7965424263 
H          7.3821183468     -6.2493475164     -5.8542984218 
H          6.5162758376     -4.7349617314     -6.1665261032 
H          6.0161943007     -1.0483797644     -5.8444512794 
H          5.1389638680     -2.5747250137     -6.0158515747 
H          4.2574379346     -1.0432982473     -6.0293471009 
H          4.0954987476      2.3625174442     -5.7164594285 
H          3.0855185125      0.9306404835     -5.9663029817 
H          2.3425369205      2.5302162935     -5.8637463457 
H          2.1438554355      6.1544907741     -5.3815857804 
H          1.1112908599      4.7951652907     -5.8553790095 
H          0.3865172856      6.3586400267     -5.4429648675 
H         -0.3087319260     -6.4756251017      5.2517046414 
H         -1.0497961431     -4.9216807055      5.6697995507 
H         -2.0689043490     -6.2898244752      5.1947264476 
H         -3.0306732762     -1.0493997160      5.7832016873 
H         -4.1185243100     -2.4255703363      5.5274170481 
H         -2.3758644799     -2.6826764858      5.6740693117 
H         -5.1995432085      2.4056232681      5.7748269015 
H         -6.1795689517      0.9622282548      5.4961910597 
H         -4.4470745971      0.8007644685      5.7834767031 
H         -7.4226522930      6.1425063654      5.5386526945 
H         -8.2874807611      4.5948606454      5.4713445131 
H         -6.5608585021      4.6305219016      5.8709406874 
H          3.8633303268     -6.3901335329      5.2143045140 
H          2.9046882207     -4.9826367532      5.7005309527 
H          2.0970876003     -6.5007090021      5.2708626927 
H          0.9847342212     -1.1092195295      5.8373146405 
H          0.0437793238     -2.5881990842      5.6691128975 
H          1.8089359961     -2.6616467505      5.6633564290 
H         -0.8960831532      2.8793057043      5.6045322125 
H         -2.3492208494      1.9011523876      5.6809109602 
H         -3.2159214149      6.1487536914      5.7266190041 
H         -4.0007225473      4.5706185738      5.8523830715 
H         -2.2392315831      4.6942267617      5.9631895722 
H          5.0988957691     -0.9986415818      5.8194562628 
H          4.1093203149     -2.4649161013      5.8385125552 
H          5.8672332802     -2.5871852854      5.6672950166 
H          2.7502382628      2.3980748328      5.9661243318 
H          2.4951011577      0.6508253690      5.9396970134 
H          4.1231307839      1.3036754075      5.7818382769 
H          1.3747749187      6.3385213363      5.5366179082 
H          1.0216843996      4.6869767797      6.0806427527 
H          2.6072771875      5.0768630979      5.4183956116 
H         -8.0442932176      5.6175588959      2.6476061482 
H         -7.9632549016      3.4556197904     -0.2849590843 
H          8.0053745600     -3.5955912660     -0.0252540382 
H          8.0506839330     -5.7471140921     -2.9755471889 
H          6.0067007793     -4.8302835127      3.0673440185 
H         -5.9374356371      4.7042144848     -3.3195923542 
H         -2.8942796640     -5.3273636539     -0.4047044484 
H         -2.0669010282     -5.6955974082     -3.0109277109 
H          2.0257718530      5.5558580741      2.6463602004 
H          2.9721707003      5.2002502706      0.2263334594 
C         -0.5962091849      1.0161551456      6.5245189919 
H          0.4768022918      0.8981998198      6.4299296929 
Cl         1.0166388036      3.3128354579      8.8159452016 
N         -2.1957717398     -0.6711998858     10.1078351980 
C         -2.9607409351      0.0769193529      9.2948704052 
C         -2.5195637375      0.6605345023      8.1151525804 
C         -1.1738706788      0.4723796442      7.7040760561 
C         -0.3625891532     -0.2722606223      8.5990897926 
C         -0.8959351729     -0.8285857025      9.7522382783 
H         -3.9924129606      0.2229983738      9.6131363592 
H         -3.2031753032      1.2749323044      7.5429862847 
H          0.6866575013     -0.4249094918      8.3828692006 
C          1.5912116213     -3.1985724204     12.2415086086 
C          0.2226197206     -3.1651915005     12.5156512396 
C         -0.6054387058     -2.3832709471     11.7126333881 
C         -0.0408286364     -1.6569657147     10.6536679211 
N          1.2797392316     -1.6892129805     10.3862469026 
C          2.0636744158     -2.4410723081     11.1671139212 
H          2.2778916866     -3.7913454099     12.8400330379 
H         -0.1935316210     -3.7377637548     13.3413811160 
H         -1.6733819807     -2.3234594848     11.8874762055 
H          3.1258252311     -2.4381652119     10.9238579879 
65
Complex 4
C           -9.15152402      0.6667854429      0.8198049023 
N           -8.45679232      1.2554227078     -0.1746478106 
C           -8.12221141      0.5141952394     -1.2371353653 
C           -8.45057031     -0.8363308884     -1.3701995564 
C           -9.16287356     -1.4449904523     -0.3355916308 
C           -9.51926150     -0.6849126805      0.7765962349 
H          -10.07447643     -1.1142395842      1.6026764464 
H           -7.56354684      1.0231458400     -2.0216674172 
H           -9.43866393     -2.4945775759     -0.3943456068 
H          -8.153248202     -1.3872197674     -2.2579013489 
C         -10.503176645      1.7346198733      4.0484908720 
N         -10.157727114      0.9527822541      3.0161356274 
C          -9.525211363      1.5331071156      1.9775337667 
C          -9.229697114      2.9023110453      1.9559861535 
C          -9.597443150      3.7110882850      3.0322004670 
C         -10.254766951      3.1051707428      4.1085074859 
H         -10.563201705      3.6747350342      4.9797269809 
H          -8.717329783      3.3084031719      1.0909371571 
H         -11.009744950      1.2412082494      4.8762214275 
C         -10.628059498      5.9414385569      2.4265251253 
C          -9.370785842      5.2063629996      2.9158556016 
Si        -10.536031930      7.7594599821      1.7429802842 
H         -11.014500879      5.3430150234      1.5904082177 
H         -11.398674375      5.8786309614      3.2049023340 
H          -8.523940397      5.3813969844      2.2520338806 
Cl         -8.788688166      5.8950032758      4.5265821237 
Si        -10.075051001      9.4454404074      3.3596981472 
Si        -12.742421762      8.0951897274      0.9057965485 
Si         -8.970024382      7.8792513058     -0.0492421879 
C         -10.951591539      9.0995595315      5.0022531364 
H         -10.614077673      8.1611924523      5.4521702876 
H         -10.743597494      9.9110749630      5.7111416617 
H         -12.037608052      9.0387484366      4.8713390606 
C          -8.219146258      9.6608388757      3.6759174404 
H          -7.755460126      8.7343299199      4.0268361632 
H          -7.693973699      9.9807435504      2.7691755606 
H          -8.058505609     10.4316483641      4.4401854281 
C         -10.721346208     11.1068769623      2.7062763087 
H         -10.458195215     11.9042617335      3.4131322695 
H         -10.284632758     11.3667273043      1.7363613386 
H         -11.811337765     11.1108879208      2.5951170788 
C         -12.833853918      9.5543249117     -0.3011699275 
H         -12.487509018     10.4871427906      0.1563038588 
H         -12.229713758      9.3779939737     -1.1980274839 
H         -13.871227773      9.7065273482     -0.6256291516 
C         -13.335234249      6.5420888444     -0.0085061166 
H         -12.685119493      6.2934135409     -0.8546065874 
H         -13.372088712      5.6693599283      0.6531365005 
H         -14.347359653      6.7028496118     -0.4009969438 
C         -13.959165521      8.4207728337      2.3257123485 
H         -14.982064935      8.5015220004      1.9354252156 
H         -13.948188184      7.6090684770      3.0633095210 
H         -13.730929047      9.3532649443      2.8541122070 
C          -7.227369264      7.3164591564      0.4525180581 
H          -7.173143248      6.2413099853      0.6576927810 
H          -6.528667203      7.5238008771     -0.3684788413 
H          -6.865788906      7.8453846035      1.3403933498 
C          -9.517667488      6.8095594202     -1.5172661602 
H          -9.621531585      5.7537447070     -1.2429494413 
H         -10.477051644      7.1430854152     -1.9284514507 
H          -8.771961666      6.8695749951     -2.3207061683 
C          -8.825057181      9.6728471844     -0.6485641164 
H          -8.144020656      9.7220572609     -1.5083200831 
H          -9.790784304     10.0821804489     -0.9635677034 
H          -8.422396073     10.3306879688      0.1295414187 
65
Complex 5
C           -8.16047976      0.9181375115      0.7579813035 
N           -7.15168373      1.3299894886      1.5544532727 
C           -6.01440562      0.6233938731      1.5502912900 
C           -5.81265751     -0.5160470972      0.7686048994 
C           -6.85833877     -0.9420879933     -0.0514412321 
C           -8.04842582     -0.2172334667     -0.0575349574 
H           -8.88706972     -0.5083741143     -0.6789821681 
H           -5.22221543      0.9857604354      2.2042956513 
H           -6.74965206     -1.8239488674     -0.6781894992 
H          -4.865096748     -1.0460469612      0.8070262462 
C         -11.564043484      2.0331171088      0.0006775865 
N         -10.443126315      1.2886203498      0.0030000978 
C          -9.412543283      1.7338895251      0.7659651036 
C          -9.486916896      2.9004392253      1.5197262190 
C         -10.659566140      3.7043580572      1.5080887494 
C         -11.729985436      3.2159547998      0.7068033690 
H         -12.678288852      3.7392804213      0.6469143397 
H          -8.628052784      3.1989214962      2.1096045012 
H         -12.384281928      1.6548292111     -0.6082232239 
C         -11.760839818      5.9301588761      2.2668374105 
C         -10.699275746      4.9021822409      2.2704692326 
Si        -11.218495432      7.6295200094      1.4233737084 
H         -12.676928091      5.5891460030      1.7746657921 
H         -12.028399234      6.2102086702      3.2953654329 
H          -9.832491569      5.0952711061      2.8998515970 
Cl         -7.839799473      6.9158016343     10.1257260471 
Si         -9.583386067      8.7164103366      2.7767480808 
Si        -13.209403998      8.9291523370      1.3502725932 
Si        -10.371247973      7.2932265341     -0.7772870069 
C         -10.390451851      9.5930387254      4.2515490285 
H         -10.943484185      8.8925678217      4.8877464975 
H          -9.616969509     10.0626876765      4.8726709827 
H         -11.084382930     10.3792448920      3.9346465195 
C          -8.287087833      7.5227844470      3.4789976623 
H          -8.712516886      6.8844317107      4.2630172846 
H          -7.844922175      6.8766603970      2.7133456354 
H          -7.475125111      8.1011972072      3.9382960120 
C          -8.678195789     10.0269801743      1.7451403141 
H          -7.978468120     10.5826395418      2.3824177859 
H          -8.098358262      9.5781691906      0.9308827815 
H          -9.371206237     10.7508452630      1.3021607712 
C         -12.839189690     10.7469597934      0.9561111324 
H         -12.197381903     11.2080922944      1.7149709198 
H         -12.342402706     10.8611713403     -0.0135575217 
H         -13.774700982     11.3199241824      0.9210424574 
C         -14.398467148      8.2712890060      0.0265459716 
H         -13.978235376      8.3665453262     -0.9808099081 
H         -14.644833505      7.2153943154      0.1873614775 
H         -15.338275702      8.8380940721      0.0493002784 
C         -14.095485658      8.8423380777      3.0232158703 
H         -15.029815562      9.4166776381      2.9860728136 
H         -14.349405646      7.8110295456      3.2927571756 
H         -13.480629728      9.2560379140      3.8292400954 
C          -8.621104878      6.5638254589     -0.7531206152 
H          -8.599608497      5.5856599960     -0.2613905355 
H          -8.254557686      6.4303055961     -1.7790924842 
H          -7.913147537      7.2164522376     -0.2299147799 
C         -11.476955903      6.1416277158     -1.7992984001 
H         -11.522896337      5.1348786903     -1.3727163002 
H         -12.501449936      6.5222646228     -1.8745571694 
H         -11.077082630      6.0558379852     -2.8181480726 
C         -10.300202214      8.9553353527     -1.6907304511 
H          -9.878832342      8.8056918957     -2.6932839585 
H         -11.296816710      9.3940394431     -1.8142162204 
H          -9.673812994      9.6884210276     -1.1722293831
65
TS 1
C         -8.49320        0.99060        1.33380
N         -7.86560        1.25770        2.49800
C         -6.71450        0.62300        2.75500
C         -6.12820       -0.30130        1.88670
C         -6.78270       -0.58040        0.68600
C         -7.98170        0.07250        0.40450
H         -8.52410       -0.11010       -0.51580
H         -6.23410        0.86460        3.70240
H         -6.36510       -1.29270       -0.02230
H         -5.18990       -0.78230        2.14950
C        -11.58200        2.07350       -0.30020
N        -10.44860        1.39630       -0.05260
C         -9.76210        1.73190        1.06190
C        -10.19100        2.73880        1.93040
C        -11.36770        3.46250        1.66330
C        -12.08130        3.09330        0.50340
H        -13.01870        3.57210        0.23530
H         -9.59370        2.96310        2.80700
H        -12.12760        1.77870       -1.19580
C        -12.75390        5.44750        2.37210
C        -11.77730        4.51870        2.58090
Si       -11.69620        7.85780        1.27080
H        -13.42340        5.40080        1.51830
H        -13.05940        6.10120        3.18190
H        -11.19900        4.57730        3.50250
Cl        -2.40260        6.65300        8.56790
Si       -10.03410        8.60160        2.78470
Si       -13.65270        9.18950        1.30290
Si       -10.85900        7.45010       -0.90370
C        -10.81960        9.25800        4.38080
H        -11.41720        8.49020        4.88540
H        -10.03520        9.58220        5.07700
H        -11.47040       10.11960        4.19230
C         -8.83180        7.21060        3.23930
H         -9.34440        6.38080        3.73760
H         -8.32690        6.80680        2.35500
H         -8.06000        7.58890        3.92220
C         -9.03090       10.01230        2.00220
H         -8.27290       10.37350        2.70970
H         -8.51010        9.68480        1.09490
H         -9.67070       10.86000        1.73200
C        -13.21940       11.03530        1.18680
H        -12.59610       11.36060        2.02760
H        -12.67600       11.26270        0.26300
H        -14.13560       11.64080        1.19620
C        -14.78790        8.76460       -0.15520
H        -14.30990        8.98050       -1.11730
H        -15.07350        7.70650       -0.15380
H        -15.70920        9.35950       -0.10160
C        -14.62420        8.91330        2.90660
H        -15.51360        9.55670        2.92510
H        -14.96240        7.87500        3.00070
H        -14.02230        9.15040        3.79100
C         -9.16900        6.59860       -0.81880
H         -9.22570        5.64710       -0.27950
H         -8.79990        6.38980       -1.83090
H         -8.42330        7.22460       -0.31560
C        -12.03370        6.35530       -1.90870
H        -12.13050        5.36050       -1.46210
H        -13.03540        6.79260       -1.98160
H        -11.64790        6.22900       -2.92850
C        -10.65170        9.08850       -1.84270
H        -10.24440        8.89810       -2.84460
H        -11.60900        9.60800       -1.96510
H         -9.96710        9.76970       -1.32550
250
bpyRhCpH on surface
Si        -1.12370       -6.30560        2.08520
Si        -2.88960       -2.94980        3.13730
Si        -4.68140        0.37910        4.09840
Si        -6.52520        3.74360        5.01570
Si         2.76330       -6.47570        1.91070
Si         1.00800       -3.12280        2.99580
Si        -0.76880        0.24080        3.91930
Si        -2.58140        3.60250        4.88000
Si         4.90120       -3.30830        2.81230
Si         3.11440        0.05320        3.79960
Si         1.34470        3.44930        4.65670
Si        -2.97320       -4.87220        1.76320
Si        -4.74110       -1.53360        2.69730
Si        -6.55200        1.77390        3.70560
Si         0.86270       -5.07740        1.63840
Si        -0.90300       -1.75110        2.59860
Si        -2.70280        1.60640        3.57330
Si        -4.52900        4.89830        4.48110
Si         4.69970       -5.21580        1.42230
Si         2.99230       -1.91170        2.44840
Si         1.21830        1.43480        3.39530
Si        -0.59610        4.74890        4.29110
Si         6.91520       -2.26760        2.14630
Si         4.98580        1.37570        3.22580
Si        -3.05530       -4.22410       -0.49740
Si        -4.84100       -0.92910        0.40760
Si        -6.60170        2.33930        1.41760
Si         0.79760       -4.41690       -0.65670
Si        -0.97260       -1.08650        0.29040
Si        -2.74400        2.23600        1.26030
Si        -4.77330        5.50360        2.21930
Si         4.69510       -4.58440       -0.85990
Si         2.91110       -1.29160        0.13560
Si         1.13140        2.03620        1.08700
Si        -0.49690        5.34250        2.02150
Si         6.77810       -1.43890       -0.05170
Si         4.98900        1.87720        0.92760
Si        -4.94930       -2.88590       -0.92330
Si        -6.74220        0.43320        0.03750
Si         0.53450       -6.32350       -2.03420
Si        -1.09290       -3.02780       -1.08990
Si        -2.87530        0.29630       -0.14560
Si        -4.66500        3.58410        0.84150
Si         4.80360       -6.48970       -2.25780
Si         2.77990       -3.22920       -1.27270
Si         1.01260        0.10150       -0.29600
Si        -0.75930        3.42630        0.65880
Si         6.63410       -3.34330       -1.43410
Si         4.87930       -0.07060       -0.41710
Si         3.10050        3.22760        0.50870
Si        -4.94620       -2.38790       -3.22050
Si        -6.88210        1.26270       -2.16060
Si         0.63780       -5.72540       -4.30650
Si        -1.15960       -2.41710       -3.40160
Si        -2.95700        0.91250       -2.46020
Si        -4.66770        4.21050       -1.44260
Si         4.56130       -5.87410       -4.51920
Si         2.72900       -2.58610       -3.58010
Si         0.94180        0.74590       -2.60590
Si        -0.82730        4.08230       -1.63080
Si         6.58750       -2.76590       -3.71950
Si         4.77970        0.54270       -2.70780
Si         3.01240        3.87950       -1.74990
Si        -1.30220       -4.42460       -4.67750
Si        -3.07940       -1.06170       -3.80260
Si        -4.86780        2.30160       -2.82950
Si         2.61670       -4.57110       -4.90310
Si         0.81500       -1.21600       -3.95940
Si        -0.96870        2.13180       -2.98990
Si        -2.72970        5.47950       -1.89910
Si         6.55730       -4.72070       -5.05380
Si         4.71660       -1.37140       -4.11140
Si         2.92580        1.96420       -3.13140
Si         1.16080        5.31160       -2.06800
C         -1.66270       -4.17440       -6.52500
C         -3.26970       -0.62270       -5.65330
C         -5.07100        2.83140       -4.65260
C          2.54880       -4.21370       -6.78020
C          0.75220       -0.74000       -5.81130
C         -1.00860        2.69900       -4.81710
C         -2.84150        6.36390       -3.57450
C          6.83000       -4.40970       -6.90530
C          4.79230       -0.82910       -5.94230
C          3.00170        2.56830       -4.94380
C          1.20130        6.19820       -3.74680
C         -1.16010       -7.19180        3.76490
C         -2.93630       -3.49840        4.96650
C         -4.72930       -0.17580        5.92510
C         -6.81160        3.45130        6.86840
C          2.88190       -7.32810        3.60320
C          1.01150       -3.60990        4.84520
C         -2.52610        3.27450        6.76130
C          5.11040       -3.85040        4.63240
C          3.24150       -0.38610        5.65480
C          1.70630        3.21590        6.50380
H         -1.21230       -7.35510        1.02820
H          2.65250       -7.54350        0.87520
H         -4.43860        6.13510        5.31700
H         -0.50040        5.98300        5.13140
H          7.98240       -3.31050        2.17010
H          7.33980       -1.22470        3.11770
H          6.25250        0.72540        3.65400
H          4.90300        2.65460        3.98860
H         -3.79390        6.54330        1.81500
H         -6.12630        6.10220        2.03740
H          0.84290        5.93640        1.76380
H         -1.49290        6.38920        1.67950
H          8.00850       -0.66290       -0.38440
H          6.22580        2.63610        0.57670
H         -6.18420       -3.64100       -0.55720
H         -7.97140       -0.34250        0.37670
H         -0.80480       -6.92070       -1.77820
H          1.52870       -7.37150       -1.68950
H          3.82780       -7.53540       -1.85900
H          6.15710       -7.08750       -2.07440
H         -6.21610       -1.74030       -3.64350
H         -4.86440       -3.66900       -3.97860
H         -7.95120        2.30380       -2.17810
H         -7.30890        0.21700       -3.12740
H          0.54210       -6.96930       -5.13280
H          4.46950       -7.11510       -5.34860
H         -2.63660        6.52870       -0.84330
H          1.24230        6.36150       -1.01040
H         -4.23470       -5.61260        2.08070
H         -5.98830       -2.29700        3.01880
H         -7.78470        0.98750        4.02090
H          7.82500       -1.98090       -4.02020
H          6.02900        1.30820       -3.01600
H          4.27130        4.62600       -2.06390
H         -0.94020       -3.50940       -7.00880
H         -1.62800       -5.14130       -7.04140
H         -2.66330       -3.75420       -6.67630
H         -2.45610        0.00780       -6.02490
H         -3.29280       -1.53100       -6.26490
H         -4.21060       -0.08790       -5.82390
H         -4.17720        3.32690       -5.04480
H         -5.28610        1.97000       -5.29400
H         -5.91020        3.53120       -4.74340
H          3.42080       -3.64360       -7.11760
H          2.53390       -5.15840       -7.33710
H          1.65410       -3.64930       -7.06090
H          1.64760       -0.19130       -6.11880
H          0.68190       -1.63080       -6.44420
H         -0.11290       -0.10960       -6.03730
H         -0.08790        3.22750       -5.08590
H         -1.11880        1.85980       -5.51090
H         -1.84330        3.38510       -4.99670
H         -1.98950        7.03720       -3.71770
H         -2.86420        5.66340       -4.41520
H         -3.75600        6.96770       -3.61370
H          7.79070       -3.90740       -7.06990
H          6.84860       -5.36310       -7.44640
H          6.04380       -3.78750       -7.34490
H          5.71550       -0.26460       -6.11950
H          4.79880       -1.69330       -6.61500
H          3.95180       -0.19150       -6.23100
H          3.97500        3.03720       -5.13350
H          2.87750        1.75500       -5.66510
H          2.23000        3.31650       -5.15320
H          2.17070        6.69290       -3.88110
H          1.05300        5.51330       -4.58780
H          0.42360        6.96850       -3.79720
H         -0.38150       -7.96140        3.81510
H         -1.01120       -6.50640        4.60560
H         -2.12860       -7.68770        3.90160
H         -2.68900       -2.67520        5.64340
H         -3.93690       -3.86480        5.22460
H         -2.22730       -4.31040        5.15910
H         -4.74900        0.68490        6.60280
H         -5.62960       -0.77310        6.11360
H         -3.85770       -0.78570        6.17850
H         -6.83610        4.40850        7.40170
H         -7.77220        2.94830        7.02840
H         -6.02730        2.83270        7.31660
H          3.79950       -7.92600        3.65640
H          2.90000       -6.60900        4.42860
H          2.03340       -8.00300        3.76100
H          0.94750       -2.72590        5.48760
H          0.15630       -4.25030        5.08450
H          1.91930       -4.15760        5.11820
H         -2.48590        4.22930        7.30010
H         -3.41400        2.73270        7.10360
H         -1.64670        2.68830        7.04170
H          5.30890       -2.99250        5.28400
H          4.22700       -4.36920        5.01820
H          5.96310       -4.53470        4.71650
H          3.42580        0.51550        6.24890
H          2.32430       -0.85230        6.02690
H          4.07230       -1.07570        5.83820
H          1.70850        4.18920        7.00790
H          0.94670        2.58850        6.97830
H          2.68620        2.75220        6.66160
H         -7.64340        4.59770        4.51790
H         -7.78890        3.20690        1.15530
H          7.81990       -4.21140       -1.16580
H          7.67760       -5.58100       -4.56980
H          5.90470       -6.07170        1.65920
H         -5.87370        5.06800       -1.66810
H         -3.14740       -5.44970       -1.34280
H         -2.43540       -5.21170       -4.10970
H          2.47510        4.22940        4.07700
H          3.19470        4.44470        1.36640
C         -0.78130       -0.10020        6.97410
C         -0.73440       -0.08910        5.74710
N         -1.58230        1.08300       10.93670
C         -2.46050        0.32400       10.25570
C         -2.20040       -0.18940        8.99350
C         -0.97130        0.11150        8.37480
C          0.00170        0.77240        9.15260
C         -0.33130        1.24330       10.42500
H         -3.42210        0.15890       10.72910
H         -2.96720       -0.75530        8.47750
H          0.97770        0.97500        8.72950
C          2.21560        3.47910       12.97100
C          0.83110        3.41820       13.12190
N          0.04150        2.70110       12.30240
C          0.61070        2.00640       11.27990
C          1.99430        2.00970       11.08250
C          2.80750        2.75810       11.93470
H          2.80640        4.07430       13.66120
H          0.33220        3.95420       13.91940
H          2.44180        1.41770       10.29130
H          3.88600        2.76720       11.79310
Rh        -2.08110        2.50170       12.46900
C         -4.18050        2.15160       13.16530
C         -4.10340        3.30850       12.35150
C         -3.22900        4.26850       13.03290
C         -2.80340        3.67120       14.24610
C         -3.71140        2.49120       14.57620
C         -2.93970        5.66370       12.56050
H         -1.99630        6.04070       12.96850
H         -2.88750        5.72250       11.46940
H         -3.73660        6.34540       12.89410
C         -4.84790        3.57760       11.07670
H         -4.26240        4.19080       10.38590
H         -5.12000        2.65140       10.56400
H         -5.78040        4.11760       11.29590
C         -4.86180        2.83830       15.55210
H         -4.46490        3.11960       16.53300
H         -5.45940        3.67120       15.16740
H         -5.52000        1.97590       15.69540
C         -1.95180        4.31410       15.30250
H         -1.32010        3.57370       15.80730
H         -1.31330        5.11180       14.91050
H         -2.58880        4.76790       16.07560
C         -5.00190        0.92430       12.89500
H         -4.48170        0.01860       13.22740
H         -5.94750        0.96980       13.45270
H         -5.26170        0.80740       11.83790
H         -3.13810        1.66130       15.01030
249
bpyRhCp* reduced on surface
Si        -1.38040       -5.44460        2.97880
Si        -2.67860       -1.78320        3.62020
Si        -4.00440        1.85720        4.18010
Si        -5.36680        5.52520        4.67660
Si         2.44490       -6.11440        2.61370
Si         1.15760       -2.45300        3.29000
Si        -0.16280        1.18810        3.83770
Si        -1.48310        4.85410        4.35820
Si         4.99380       -3.13440        2.92230
Si         3.66800        0.52070        3.50860
Si         2.35610        4.17180        3.99910
Si        -3.07920       -3.85710        2.55400
Si        -4.38560       -0.21860        3.09040
Si        -5.72250        3.40780        3.67710
Si         0.69740       -4.54660        2.24820
Si        -0.61020       -0.92040        2.80360
Si        -1.93230        2.72730        3.36960
Si        -3.28390        6.32470        3.88240
Si         4.47620       -5.18310        1.85050
Si         3.22720       -1.58370        2.46710
Si         1.90610        2.04560        3.02660
Si         0.57740        5.65200        3.51030
Si         7.06150       -2.46260        1.99310
Si         5.63580        1.50190        2.64000
Si        -3.25660       -3.53100        0.23080
Si        -4.58000        0.06320        0.74400
Si        -5.87360        3.64670        1.33850
Si         0.53250       -4.22000       -0.10940
Si        -0.77260       -0.59880        0.43250
Si        -2.07370        3.03050        0.99870
Si        -3.61350        6.63040        1.56990
Si         4.36760       -4.89150       -0.49570
Si         3.04650       -1.29630        0.09550
Si         1.72960        2.32340        0.65670
Si         0.58990        5.90230        1.17430
Si         6.85140       -1.94500       -0.29280
Si         5.52740        1.66860        0.29470
Si        -5.00980       -2.03430       -0.27280
Si        -6.33110        1.59030        0.27500
Si        -0.04720       -6.25990       -1.15930
Si        -1.21570       -2.68360       -0.63600
Si        -2.52870        0.94120       -0.09270
Si        -3.84750        4.54040        0.48540
Si         4.14730       -6.98190       -1.58210
Si         2.59020       -3.38390       -0.99770
Si         1.28970        0.24460       -0.42510
Si        -0.01010        3.86710        0.12600
Si         6.38920       -3.99710       -1.36050
Si         5.09680       -0.41900       -0.74420
Si         3.77580        3.16760       -0.20710
Si        -5.11920       -1.87320       -2.61560
Si        -6.53450        2.10770       -2.01190
Si        -0.05140       -6.00870       -3.49740
Si        -1.38420       -2.40270       -3.00160
Si        -2.70840        1.23030       -2.46350
Si        -3.94580        4.83400       -1.86140
Si         3.80500       -6.67630       -3.89290
Si         2.43920       -3.07900       -3.36860
Si         1.12660        0.55600       -2.79880
Si        -0.16640        4.19520       -2.22860
Si         6.23400       -3.75750       -3.70020
Si         4.90010       -0.13570       -3.09330
Si         3.60500        3.49550       -2.53210
Si        -1.85530       -4.54180       -3.93810
Si        -3.15700       -0.88400       -3.48810
Si        -4.46490        2.78450       -2.93200
Si         2.00160       -5.20700       -4.36470
Si         0.67050       -1.54780       -3.83830
Si        -0.63350        2.10520       -3.27500
Si        -1.90800        5.76860       -2.60290
Si         5.87960       -5.87270       -4.70320
Si         4.50920       -2.20970       -4.18660
Si         3.19370        1.43100       -3.61140
Si         1.91360        5.08950       -2.95420
C         -2.34380       -4.52820       -5.77320
C         -3.43050       -0.69230       -5.37090
C         -4.73350        3.06530       -4.80230
C          1.84180       -5.11800       -6.26790
C          0.51550       -1.33470       -5.73430
C         -0.74160        2.41000       -5.16260
C         -2.03650        6.41040       -4.38540
C          6.05570       -5.88310       -6.59210
C          4.50590       -1.94890       -6.08040
C          3.20100        1.75680       -5.49570
C          1.93580        5.72210       -4.74480
C         -1.39250       -6.06830        4.77290
C         -2.68350       -2.08720        5.50440
C         -4.02080        1.59660        6.06930
C         -5.55630        5.54500        6.56400
C          2.59380       -6.73420        4.40230
C          1.25540       -2.69410        5.18510
C         -1.30940        4.75310        6.25800
C          5.28640       -3.42940        4.78700
C          3.87610        0.33110        5.39700
C          2.74330        4.10610        5.85630
H         -1.66070       -6.61910        2.10130
H          2.14760       -7.29450        1.75110
H         -2.99040        7.65010        4.51010
H          0.87200        6.97470        4.14520
H          7.99790       -3.61880        2.10980
H          7.68140       -1.35480        2.76750
H          6.84900        0.76670        3.08590
H          5.76350        2.87910        3.19760
H         -2.54410        7.45940        0.95820
H         -4.88830        7.37750        1.37200
H          1.97100        6.26590        0.75490
H         -0.28450        7.01780        0.73150
H          8.13150       -1.38250       -0.81530
H          6.81130        2.21300       -0.23940
H         -6.29320       -2.57290        0.26840
H         -7.61550        1.03330        0.79280
H         -1.42160       -6.64510       -0.73740
H          0.84420       -7.36340       -0.72040
H          3.09210       -7.82600       -0.96680
H          5.43230       -7.71390       -1.39200
H         -6.33260       -1.14020       -3.06480
H         -5.23960       -3.24820       -3.18020
H         -7.47720        3.25840       -2.13040
H         -7.14380        0.99780       -2.79160
H         -0.35190       -7.33310       -4.12630
H          3.51130       -8.00240       -4.51880
H         -1.61770        6.93980       -1.72600
H          2.19630        6.25830       -2.06980
H         -4.38500       -4.39300        3.05290
H         -5.68610       -0.77020        3.58650
H         -7.01670        2.84400        4.17200
H          7.52510       -3.18770       -4.19680
H          6.20100        0.41420       -3.59050
H          4.91470        4.02700       -3.02600
H         -1.59250       -4.04370       -6.40500
H         -2.46960       -5.55770       -6.12960
H         -3.29650       -4.00790       -5.92120
H         -2.58070       -0.22400       -5.87700
H         -3.59830       -1.66910       -5.83720
H         -4.31560       -0.07760       -5.56800
H         -3.81940        3.38820       -5.31070
H         -5.08430        2.15070       -5.29250
H         -5.49500        3.83840       -4.95800
H          2.74840       -4.71840       -6.73470
H          1.67450       -6.12320       -6.67350
H          1.00170       -4.49010       -6.58150
H          1.44210       -0.95980       -6.17970
H          0.28230       -2.28940       -6.21790
H         -0.28230       -0.63340       -5.99610
H          0.21020        2.77930       -5.55850
H         -0.99520        1.50020       -5.71510
H         -1.50520        3.15930       -5.39710
H         -1.12260        6.93770       -4.68020
H         -2.20820        5.60390       -5.10530
H         -2.87140        7.11660       -4.46630
H          7.05560       -5.54110       -6.88410
H          5.92050       -6.90100       -6.97680
H          5.32140       -5.23640       -7.08280
H          5.46990       -1.53370       -6.39780
H          4.36240       -2.89530       -6.61290
H          3.72260       -1.26110       -6.41160
H          4.20550        2.06230       -5.81280
H          2.92360        0.87140       -6.07570
H          2.51040        2.56110       -5.77000
H          2.94250        6.07050       -5.00350
H          1.65220        4.94810       -5.46530
H          1.24880        6.56630       -4.86870
H         -0.69500       -6.90360        4.89980
H         -1.11580       -5.28660        5.48770
H         -2.39430       -6.42660        5.03730
H         -2.39910       -1.18990        6.06000
H         -3.68680       -2.38810        5.82960
H         -1.99130       -2.88830        5.78420
H         -3.94190        2.54990        6.60190
H         -4.96410        1.12640        6.37180
H         -3.19760        0.96210        6.40470
H         -5.42630        6.56510        6.94410
H         -6.55710        5.20160        6.85100
H         -4.82300        4.90350        7.06290
H          3.43850       -7.42820        4.48590
H          2.75990       -5.91590        5.11020
H          1.68920       -7.26960        4.71030
H          1.32100       -1.73180        5.70290
H          0.36530       -3.20890        5.56210
H          2.12690       -3.29190        5.47050
H         -1.06680        5.74020        6.66960
H         -2.23590        4.40800        6.72880
H         -0.51000        4.05990        6.53680
H          5.63240       -2.51640        5.28390
H          4.38400       -3.77200        5.30330
H          6.06010       -4.19410        4.92390
H          4.20890        1.27590        5.84100
H          2.93430        0.05010        5.87850
H          4.62610       -0.42950        5.63880
H          2.80850        5.12090        6.26560
H          1.97340        3.56180        6.41050
H          3.70330        3.61180        6.03870
H         -6.40210        6.44030        4.11130
H         -6.96640        4.60850        1.00280
H          7.48360       -4.95980       -1.03280
H          6.92240       -6.78520       -4.14710
H          5.58750       -6.14250        2.14310
H         -5.05360        5.79700       -2.15530
H         -3.55460       -4.83740       -0.42520
H         -3.01700       -5.09240       -3.18080
H          3.55590        4.72290        3.30370
H          4.07580        4.47440        0.44800
C         -0.38900        0.88030        6.86870
C         -0.15400        0.97510        5.66410
N         -2.01750        0.53240       10.79440
C         -1.61740       -0.56610       10.08270
C         -1.02370       -0.50140        8.84680
C         -0.79770        0.76810        8.22790
C         -1.12530        1.89630        8.98670
C         -1.71650        1.77470       10.24780
H         -1.82020       -1.52210       10.54850
H         -0.75890       -1.41900        8.33720
H         -0.95690        2.88290        8.57060
C         -3.05440        4.87200       12.76170
C         -3.27650        3.53160       13.01110
N         -2.83290        2.53650       12.19360
C         -2.13330        2.89420       11.06050
C         -1.87370        4.24890       10.76920
C         -2.33060        5.24540       11.60990
H         -3.43550        5.61630       13.45510
H         -3.82510        3.20830       13.88800
H         -1.30030        4.50770        9.88430
H         -2.12760        6.29100       11.38920
Rh        -3.12070        0.52770       12.50020
C         -3.81490       -1.57900       12.97700
C         -4.99830       -0.75790       12.95470
C         -4.83450        0.24050       13.96760
C         -3.60140       -0.02390       14.68450
C         -2.98310       -1.16430       14.08680
C         -5.86330        1.27010       14.34640
H         -5.43050        2.08580       14.93230
H         -6.34400        1.71010       13.46420
H         -6.65500        0.82210       14.96500
C         -6.20570       -0.94790       12.07720
H         -6.72370       -0.00030       11.89050
H         -5.93640       -1.37460       11.10580
H         -6.93640       -1.63200       12.54090
C         -1.73940       -1.86310       14.56320
H         -1.05710       -1.17530       15.07010
H         -1.97640       -2.66900       15.27310
H         -1.18960       -2.32110       13.73420
C         -3.12890        0.70140       15.91330
H         -2.05320        0.58200       16.06570
H         -3.33530        1.77500       15.85980
H         -3.63200        0.32640       16.81580
C         -3.60780       -2.82090       12.15500
H         -2.54600       -3.07440       12.05600
H         -4.09930       -3.68790       12.62210
H         -4.02650       -2.71180       11.14950
250
bpy(Cp*)RhH on surface
Si        -1.36030       -6.13100        2.04320
Si        -2.96980       -2.68690        3.08220
Si        -4.60510        0.74610        4.01230
Si        -6.25980        4.21320        4.91650
Si         2.52140       -6.50510        1.88710
Si         0.92740       -3.06600        2.97850
Si        -0.70580        0.37920        3.91790
Si        -2.32870        3.84380        4.83870
Si         4.81740       -3.45550        2.81680
Si         3.19110       -0.01310        3.81270
Si         1.58030        3.45190        4.70300
Si        -3.13610       -4.60590        1.70840
Si        -4.74330       -1.17170        2.62060
Si        -6.39070        2.24660        3.60380
Si         0.69360       -5.00940        1.61630
Si        -0.91420       -1.59450        2.57750
Si        -2.54780        1.85700        3.52850
Si        -4.19200        5.25250        4.41370
Si         4.52750       -5.34870        1.42100
Si         2.98090       -1.96300        2.44990
Si         1.36020        1.45970        3.41770
Si        -0.26650        4.87190        4.28930
Si         6.89210       -2.52480        2.16700
Si         5.13780        1.20940        3.25940
Si        -3.16440       -3.95130       -0.55250
Si        -4.78430       -0.56260        0.33110
Si        -6.38060        2.80810        1.31610
Si         0.67890       -4.34740       -0.67680
Si        -0.92290       -0.92560        0.26900
Si        -2.52470        2.48900        1.21930
Si        -4.37060        5.86890        2.14860
Si         4.57140       -4.71800       -0.86000
Si         2.95230       -1.33840        0.13810
Si         1.33600        2.07320        1.10420
Si        -0.09510        5.46210        2.02120
Si         6.81240       -1.68710       -0.03040
Si         5.18910        1.71250        0.96200
Si        -4.98240       -2.51480       -0.99950
Si        -6.60510        0.90440       -0.06000
Si         0.32180       -6.24440       -2.04670
Si        -1.13360       -2.85740       -1.11650
Si        -2.74600        0.55810       -0.19000
Si        -4.36510        3.94120        0.77740
Si         4.58100       -6.62750       -2.25810
Si         2.72810       -3.26480       -1.27560
Si         1.13070        0.15480       -0.29510
Si        -0.46760        3.56870        0.65080
Si         6.57810       -3.57910       -1.42020
Si         4.98780       -0.22060       -0.39690
Si         3.37380        3.16190        0.54660
Si        -4.92990       -2.01130       -3.29540
Si        -6.67650        1.74360       -2.25840
Si         0.46580       -5.64900       -4.31630
Si        -1.15020       -2.24060       -3.42610
Si        -2.77120        1.18390       -2.50150
Si        -4.30950        4.57270       -1.50330
Si         4.37930       -5.99640       -4.51960
Si         2.72330       -2.61680       -3.57990
Si         1.11350        0.80810       -2.60360
Si        -0.47720        4.23560       -1.63570
Si         6.57140       -2.99800       -3.70550
Si         4.93710        0.40070       -2.68750
Si         3.34500        3.82390       -1.71270
Si        -1.40210       -4.24560       -4.68900
Si        -2.98780       -0.78080       -3.84760
Si        -4.59890        2.67650       -2.89440
Si         2.50350       -4.59390       -4.90340
Si         0.88940       -1.14330       -3.96370
Si        -0.71460        2.29810       -3.00270
Si        -2.29800        5.73630       -1.92400
Si         6.43740       -4.94990       -5.03930
Si         4.77530       -1.50660       -4.09730
Si         3.16370        1.92190       -3.10770
Si         1.57960        5.35790       -2.04710
C         -1.75510       -3.98780       -6.53720
C         -3.13270       -0.33010       -5.69980
C         -4.74780        3.21350       -4.72060
C          2.43880       -4.23140       -6.77900
C          0.86300       -0.65840       -5.81360
C         -0.70510        2.87190       -4.82810
C         -2.33530        6.63030       -3.59810
C          6.73180       -4.65280       -6.88950
C          4.88310       -0.96630       -5.92770
C          3.27880        2.52850       -4.91710
C          1.68500        6.24200       -3.72460
C         -1.45030       -7.00890        3.72510
C         -3.06510       -3.23470        4.91040
C         -4.72110        0.19530        5.83530
C         -6.58170        3.93500        6.76610
C          2.59250       -7.37520        3.57320
C          0.90010       -3.55960        4.82590
C         -2.31220        3.50720        6.72040
C          4.99190       -4.01250        4.63560
C          3.29370       -0.46710        5.66570
C          1.86340        3.15700        6.55850
H         -1.49560       -7.17690        0.98790
H          2.35950       -7.55710        0.84270
H         -4.04130        6.48090        5.25350
H         -0.11510        6.09700        5.13500
H          7.89870       -3.62590        2.19750
H          7.36750       -1.50710        3.14160
H          6.35980        0.48850        3.70350
H          5.11750        2.49160        4.02070
H         -3.31890        6.83890        1.75310
H         -5.67840        6.55520        1.94890
H          1.28510        5.96300        1.77990
H         -1.01310        6.57530        1.67090
H          8.08200       -0.97370       -0.35610
H          6.46430        2.41020        0.62110
H         -6.25960       -3.20080       -0.64320
H         -7.87850        0.19900        0.26830
H         -1.04690       -6.77090       -1.79250
H          1.26080       -7.33970       -1.69540
H          3.54800       -7.61770       -1.86200
H          5.89940       -7.29800       -2.07190
H         -6.16060       -1.29830       -3.72800
H         -4.90320       -3.29030       -4.06080
H         -7.69070        2.83770       -2.28590
H         -7.14180        0.72440       -3.23560
H          0.31010       -6.88210       -5.14970
H          4.22850       -7.22880       -5.35280
H         -2.16420        6.77550       -0.86270
H          1.70610        6.40040       -0.98690
H         -4.43390       -5.28400        2.01800
H         -6.03080       -1.86910        2.93210
H         -7.66680        1.53080        3.91420
H          7.84910       -2.28050       -4.00540
H          6.22810        1.09560       -2.98960
H          4.64830        4.49760       -2.00960
H         -0.99900       -3.36620       -7.02750
H         -1.77440       -4.95830       -7.04760
H         -2.73200       -3.51520       -6.68870
H         -2.28420        0.25930       -6.06050
H         -3.19390       -1.23510       -6.31370
H         -4.04360        0.25140       -5.88080
H         -3.82350        3.65980       -5.10110
H         -4.99970        2.36380       -5.36450
H         -5.54720        3.95690       -4.82430
H          3.33520       -3.70740       -7.12650
H          2.36670       -5.17410       -7.33500
H          1.57130       -3.62110       -7.04930
H          1.79090       -0.16330       -6.11590
H          0.74270       -1.54190       -6.44920
H          0.03800        0.02290       -6.04130
H          0.24520        3.34980       -5.08690
H         -0.85460        2.04190       -5.52520
H         -1.49890        3.60310       -5.01310
H         -1.44180        7.25000       -3.73050
H         -2.39210        5.93450       -4.44140
H         -3.21030        7.28960       -3.64570
H          7.71920       -4.20510       -7.05250
H          6.69770       -5.60510       -7.43180
H          5.98220       -3.98710       -7.32900
H          5.83670       -0.45480       -6.10490
H          4.84050       -1.82900       -6.60140
H          4.08030       -0.28190       -6.21640
H          4.27740        2.94170       -5.10350
H          3.11060        1.72540       -5.64090
H          2.55110        3.31940       -5.12630
H          2.68400        6.67570       -3.85330
H          1.49920        5.56830       -4.56730
H          0.95700        7.05910       -3.77860
H         -0.71370       -7.81850        3.77960
H         -1.26640       -6.32910        4.56360
H         -2.44400       -7.45190        3.86180
H         -2.79660       -2.42170        5.59160
H         -4.08210       -3.56400        5.15410
H         -2.38900       -4.07240        5.11190
H         -4.68570        1.05240        6.51630
H         -5.66580       -0.33310        6.00910
H         -3.90120       -0.47940        6.09420
H         -6.55160        4.89070        7.30260
H         -7.57330        3.49220        6.91600
H         -5.84170        3.26730        7.21970
H          3.47380       -8.02610        3.61900
H          2.65650       -6.66360        4.40270
H          1.70670       -8.00020        3.73060
H          0.89000       -2.67610        5.47250
H          0.00720       -4.14790        5.06210
H          1.77310       -4.16250        5.09640
H         -2.21100        4.45540        7.26230
H         -3.23760        3.02600        7.05430
H         -1.47670        2.86100        7.00490
H          5.23410       -3.16740        5.28930
H          4.08120       -4.48400        5.01820
H          5.80670       -4.74130        4.72020
H          3.49970        0.42610        6.26570
H          2.36160       -0.90920        6.03060
H          4.10380       -1.18060        5.84960
H          1.86440        4.11310        7.09510
H          1.07810        2.52610        6.98640
H          2.82930        2.67100        6.73660
H         -7.31960        5.13280        4.40800
H         -7.51080        3.74170        1.03030
H          7.71470       -4.50890       -1.14700
H          7.50660       -5.87120       -4.55260
H          5.68260       -6.26780        1.66810
H         -5.46430        5.49560       -1.73720
H         -3.30750       -5.16810       -1.40290
H         -2.57490       -4.96530       -4.11300
H          2.77850        4.16550        4.17530
H          3.53120        4.36840        1.40980
C         -0.91530       -0.03690        6.96300
C         -0.78520        0.02890        5.74250
N         -1.90370        0.74750       10.99380
C         -2.77980        0.12290       10.18270
C         -2.47210       -0.24060        8.88050
C         -1.19400        0.06150        8.36450
C         -0.24760        0.58440        9.26500
C         -0.62420        0.91680       10.56970
H         -3.76640       -0.06410       10.58960
H         -3.23390       -0.70380        8.26390
H          0.76620        0.76040        8.92850
C          1.86530        2.67180       13.52230
C          0.50280        2.44680       13.69450
N         -0.26640        1.89540       12.73610
C          0.29950        1.52180       11.55790
C          1.66900        1.70140       11.33280
C          2.45930        2.28980       12.31850
H          2.44020        3.13130       14.32240
H          0.00600        2.70560       14.62170
H          2.12300        1.37910       10.40150
H          3.52220        2.43840       12.14900
Rh        -2.35800        1.58710       12.90200
C         -4.56630        1.99230       12.89760
C         -3.99450        3.29090       12.53960
C         -3.16800        3.70380       13.60500
C         -3.20000        2.67020       14.64260
C         -4.14750        1.66370       14.22900
C         -2.40110        4.99000       13.69940
H         -1.47320        4.87070       14.26650
H         -2.15000        5.39080       12.71390
H         -2.99780        5.75040       14.22210
C         -4.30940        4.06100       11.28990
H         -3.53910        4.80460       11.06920
H         -4.40280        3.40410       10.41870
H         -5.26150        4.59760       11.39280
C         -4.67950        0.53770       15.07260
H         -3.94730        0.19750       15.81000
H         -5.57010        0.87960       15.61970
H         -4.97280       -0.32280       14.46400
C         -2.62300        2.81310       16.02420
H         -2.42470        1.84000       16.48200
H         -1.68980        3.38530       16.02910
H         -3.32710        3.35290       16.67220
C         -5.63000        1.28060       12.11210
H         -5.64290        0.20380       12.31400
H         -6.61890        1.68170       12.37990
H         -5.50930        1.42940       11.03260
H         -2.00160        0.18720       13.50010
249
Unreduced Cp*Rhbpy on surface
Si        -1.15640       -6.06190        2.30610
Si        -2.90390       -2.63190        3.14790
Si        -4.66820        0.78440        3.88710
Si        -6.45470        4.23370        4.58660
Si         2.73620       -6.29830        2.20410
Si         1.00890       -2.86810        3.10240
Si        -0.76410        0.56460        3.84660
Si        -2.51700        4.01110        4.55880
Si         4.91150       -3.12020        2.99460
Si         3.14900        0.30640        3.79600
Si         1.40600        3.76000        4.47230
Si        -2.98380       -4.62540        1.87450
Si        -4.72280       -1.20540        2.59260
Si        -6.50140        2.19520        3.38190
Si         0.85850       -4.88680        1.83970
Si        -0.88370       -1.49180        2.60800
Si        -2.65580        1.95160        3.35600
Si        -4.42510        5.32440        4.04120
Si         4.70440       -5.09400        1.69910
Si         3.02530       -1.71800        2.53320
Si         1.27070        1.68940        3.30600
Si        -0.48900        5.08500        3.97190
Si         6.95570       -2.14620        2.31260
Si         5.05380        1.57060        3.18990
Si        -3.01260       -4.08940       -0.41750
Si        -4.76200       -0.71850        0.27260
Si        -6.48910        2.63670        1.06670
Si         0.84560       -4.35020       -0.48640
Si        -0.89040       -0.94440        0.26240
Si        -2.62510        2.45570        1.01180
Si        -4.59890        5.81090        1.74380
Si         4.75160       -4.58510       -0.61240
Si         2.99750       -1.21910        0.18910
Si         1.24490        2.17430        0.95700
Si        -0.31560        5.55770        1.67590
Si         6.87070       -1.43410        0.07160
Si         5.11150        1.94960        0.86840
Si        -4.87550       -2.74430       -0.95470
Si        -6.63120        0.65820       -0.21150
Si         0.57140       -6.33130       -1.75590
Si        -1.01550       -2.95560       -1.02110
Si        -2.75990        0.44460       -0.29270
Si        -4.51330        3.81400        0.47780
Si         4.84600       -6.56700       -1.90390
Si         2.86090       -3.22570       -1.12290
Si         1.12760        0.17890       -0.34230
Si        -0.60330        3.57990        0.40670
Si         6.72180       -3.40510       -1.21640
Si         4.99740       -0.05810       -0.38900
Si         3.24920        3.30580        0.35950
Si        -4.81680       -2.36430       -3.27480
Si        -6.70880        1.37560       -2.45330
Si         0.72200       -5.85530       -4.05380
Si        -1.02820       -2.46580       -3.36260
Si        -2.78120        0.94190       -2.63790
Si        -4.45430        4.32060       -1.83570
Si         4.64840       -6.06780       -4.19870
Si         2.85950       -2.70510       -3.46080
Si         1.11430        0.70550       -2.68540
Si        -0.61120        4.11860       -1.91550
Si         6.71980       -2.94870       -3.53040
Si         4.95130        0.43680       -2.71120
Si         3.22270        3.84350       -1.93350
Si        -1.19230       -4.54500       -4.51790
Si        -2.91230       -1.09970       -3.87800
Si        -4.65820        2.34250       -3.12470
Si         2.72760       -4.75870       -4.67730
Si         0.97660       -1.32440       -3.94070
Si        -0.76120        2.10430       -3.18180
Si        -2.48160        5.53310       -2.29990
Si         6.67250       -4.97420       -4.75700
Si         4.87550       -1.54740       -4.01920
Si         3.12900        1.86650       -3.23050
Si         1.40850        5.29430       -2.36200
C         -1.53470       -4.39870       -6.38010
C         -3.05410       -0.75360       -5.75270
C         -4.80920        2.77640       -4.97860
C          2.67920       -4.49760       -6.57040
C          0.95140       -0.94040       -5.81450
C         -0.75410        2.57950       -5.03610
C         -2.53180        6.33120       -4.02140
C          6.97600       -4.76780       -6.61840
C          4.98550       -1.09890       -5.87420
C          3.24310        2.37940       -5.06880
C          1.50360        6.09490       -4.08090
C         -1.23590       -6.85320        4.03140
C         -2.99970       -3.08500        5.00180
C         -4.77640        0.33050        5.73950
C         -6.77770        4.04860        6.44840
C          2.81720       -7.08410        3.93010
C          0.97980       -3.26380        4.97410
C         -2.51370        3.76610        6.45560
C          5.08730       -3.57300        4.84240
C          3.24720       -0.04500        5.67240
C          1.69020        3.57850        6.34250
H         -1.24010       -7.16440        1.30500
H          2.62210       -7.40260        1.20900
H         -4.32810        6.60030        4.81590
H         -0.39260        6.35660        4.75480
H          8.00230       -3.20460        2.41540
H          7.38040       -1.05890        3.23390
H          6.29510        0.92060        3.68650
H          4.97750        2.89130        3.87860
H         -3.57690        6.79600        1.30960
H         -5.92800        6.43850        1.49830
H          1.04910        6.09430        1.42390
H         -1.26980        6.61590        1.25890
H          8.11550       -0.68980       -0.27960
H          6.36360        2.67760        0.50650
H         -6.13150       -3.45540       -0.57300
H         -7.88130       -0.07530        0.14360
H         -0.78200       -6.88870       -1.48720
H          1.54300       -7.37180       -1.33480
H          3.84460       -7.57030       -1.46290
H          6.18560       -7.17650       -1.66710
H         -6.06590       -1.71710       -3.75520
H         -4.74100       -3.68240       -3.96640
H         -7.75650        2.43360       -2.54730
H         -7.13370        0.28920       -3.37450
H          0.62000       -7.13600       -4.82010
H          4.55220       -7.34830       -4.96430
H         -2.39740        6.63240       -1.29540
H          1.48340        6.39250       -1.35400
H         -4.26030       -5.33090        2.21110
H         -5.98940       -1.92810        2.93170
H         -7.75630        1.45430        3.71860
H          7.97360       -2.20110       -3.85670
H          6.21940        1.16290       -3.03640
H          4.50470        4.54930       -2.24880
H         -0.79700       -3.77680       -6.89710
H         -1.51270       -5.39540       -6.83700
H         -2.52650       -3.97170       -6.56550
H         -2.22440       -0.15310       -6.13790
H         -3.07550       -1.69200       -6.31720
H         -3.98390       -0.21730       -5.97220
H         -3.89740        3.23280       -5.37710
H         -5.02720        1.88540       -5.57740
H         -5.63220        3.48560       -5.12760
H          3.56280       -3.96110       -6.93170
H          2.64920       -5.46960       -7.07720
H          1.79610       -3.93320       -6.88590
H          1.86320       -0.42810       -6.13660
H          0.86960       -1.86030       -6.40270
H          0.10440       -0.30360       -6.08600
H          0.17990        3.07980       -5.31240
H         -0.86300        1.70820       -5.68900
H         -1.57350        3.26800       -5.26930
H         -1.66290        6.98030       -4.17600
H         -2.54640        5.58880       -4.82590
H         -3.43280        6.94890       -4.11700
H          7.94750       -4.29200       -6.79740
H          6.98390       -5.74920       -7.10730
H          6.20700       -4.15670       -7.10160
H          5.92130       -0.56090       -6.06800
H          4.98460       -1.99620       -6.50230
H          4.16110       -0.46220       -6.20770
H          4.22960        2.81630       -5.26660
H          3.11160        1.53370       -5.75050
H          2.49180        3.13240       -5.32870
H          2.48870        6.55660       -4.22000
H          1.35280        5.37320       -4.89010
H          0.74830        6.88200       -4.18440
H         -0.46950       -7.62920        4.13770
H         -1.09010       -6.12360        4.83490
H         -2.21400       -7.32700        4.17890
H         -2.78180       -2.22460        5.64150
H         -4.00360       -3.45010        5.24940
H         -2.28760       -3.87710        5.25640
H         -4.81310        1.22520        6.37050
H         -5.68490       -0.25290        5.92940
H         -3.91550       -0.26860        6.04770
H         -6.80600        5.03630        6.92350
H         -7.74460        3.56150        6.62040
H         -6.00540        3.45460        6.94810
H          3.72110       -7.69880        4.01580
H          2.84340       -6.33350        4.72650
H          1.95290       -7.73420        4.10490
H          0.93990       -2.34770        5.57290
H          0.10340       -3.86570        5.23690
H          1.86850       -3.82470        5.28190
H         -2.45400        4.74140        6.95360
H         -3.42570        3.26710        6.80040
H         -1.65860        3.16560        6.77930
H          5.29260       -2.68650        5.45220
H          4.19060       -4.05730        5.24200
H          5.92730       -4.26570        4.97220
H          3.42550        0.88330        6.22650
H          2.32490       -0.49390        6.05490
H          4.07390       -0.72680        5.89860
H          1.67400        4.56360        6.82330
H          0.91450        2.95960        6.80430
H          2.66360        3.12010        6.54940
H         -7.54640        5.08110        4.02410
H         -7.65170        3.51070        0.72900
H          7.88800       -4.27620       -0.88230
H          7.76950       -5.82650       -4.21040
H          5.88850       -5.95530        2.00780
H         -5.63900        5.18600       -2.13030
H         -3.10520       -5.35350       -1.20280
H         -2.34430       -5.27440       -3.91310
H          2.58090        4.48580        3.91080
H          3.35220        4.56230        1.15710
C         -1.05240        0.27490        6.91720
C         -0.88250        0.31010        5.69860
N         -1.94860        1.03790       10.99080
C         -2.80370        0.33580       10.21670
C         -2.52690       -0.00820        8.90100
C         -1.30790        0.40120        8.31850
C         -0.37940        1.03740        9.17190
C         -0.71780        1.34680       10.48750
H         -3.75070        0.05900       10.66640
H         -3.27250       -0.54840        8.32910
H          0.58590        1.32570        8.77720
C          1.71480        3.57260       13.16890
C          0.37840        3.26850       13.41310
N         -0.36560        2.54210       12.55530
C          0.19180        2.08890       11.39680
C          1.53590        2.33440       11.11130
C          2.30480        3.08690       12.00180
H          2.27180        4.16850       13.88650
H         -0.11300        3.61220       14.31580
H          1.99570        1.93090       10.21570
H          3.35170        3.28520       11.78290
Rh        -2.37430        1.92530       12.90040
C         -4.54070        1.57500       13.37290
C         -4.26340        2.98670       13.25590
C         -3.32150        3.36450       14.31440
C         -2.98500        2.18650       15.03550
C         -3.73470        1.06800       14.44290
C         -2.89570        4.76600       14.62260
H         -2.01060        4.80200       15.26410
H         -2.69980        5.34690       13.71590
H         -3.71210        5.26710       15.16560
C         -4.91440        3.94290       12.31630
H         -4.25750        4.78140       12.06750
H         -5.23830        3.45590       11.39300
H         -5.81000        4.35840       12.80740
C         -3.71340       -0.33440       14.94810
H         -2.72550       -0.61830       15.32490
H         -4.41910       -0.40870       15.79210
H         -4.02670       -1.05540       14.18840
C         -2.12630        2.10530       16.25790
H         -1.70200        1.10750       16.39510
H         -1.31310        2.83720       16.25200
H         -2.75240        2.32480       17.13720
C         -5.57560        0.81010       12.60420
H         -5.32300       -0.25040       12.50500
H         -6.53090        0.86650       13.14630
H         -5.74180        1.22880       11.60850
