5
CH4
C        0.0000000        0.0000000        0.0000000
H        0.6315000        0.6315000        0.6315000
H       -0.6315000       -0.6315000        0.6315000
H       -0.6315000        0.6315000       -0.6315000
H        0.6315000       -0.6315000       -0.6315000
6
SbF5
Sb       -0.0000020        0.0011190       -0.0000940
F        1.8523040       -0.0006020        0.0001380
F       -0.0000420        1.8351830       -0.0605690
F        0.0000460       -0.9728280       -1.5554730
F        0.0000000       -0.8674230        1.6163400
F       -1.8522970       -0.0006680        0.0000990
2
HF
F        0.0000000        0.0000000        0.0928080
H        0.0000000        0.0000000       -0.8352700
8
SbF6H
Sb       -0.0276220        0.3034650       -0.0277920
F        0.6796020       -0.5927450        1.4311750
F       -1.5304090       -1.3200440        0.1081820
F        0.7950430       -0.9301410       -1.1382070
F       -1.0718920        0.8496270       -1.4582870
F        1.2512390        1.6219360       -0.1303450
F       -1.1916750        1.1880460        1.1120950
H       -2.4562550       -1.1236210        0.1084800
13
TS1m
C       -3.6743780       -0.0781280       -0.0062970
H       -3.8038020       -1.0644780       -0.4494370
H       -3.3449160        0.5696330       -0.8502450
H       -4.5736020        0.4170760        0.3585160
H       -3.0690330       -0.2450390        0.9104620
H       -2.4758420        0.4858960        0.0344310
F       -1.2574260        1.0344130        0.0704690
F        1.1321060        1.2313280        1.1818880
F        0.9178860        1.0541300       -1.4423250
F       -0.2565880       -1.0021710        1.4413080
F       -0.4788440       -1.1712620       -1.1737770
Sb        0.4103750       -0.0182070       -0.0010630
F        1.9855710       -1.0093000       -0.0677530
13
[SbF6]-[CH5]+ complex
C       -3.7855310       -0.0771450        0.0042880
H       -3.9470780       -0.6488630       -0.9080000
H       -3.4658080        0.9298670       -0.4866690
H       -4.6578760        0.2743040        0.5517350
H       -3.1702530       -0.6869960        0.6861520
H       -2.7681980        0.5717400        0.0962500
F       -1.0874410        1.1152070        0.4069230
F        1.4189210        0.9334750        1.2587450
F        0.9150310        1.2105070       -1.3319440
F       -0.1688600       -1.1923550        1.3365120
F       -0.6753220       -0.9124900       -1.2475550
Sb        0.4000230       -0.0066570       -0.0021320
F        1.8555850       -1.1140870       -0.4067330
11
[SbF6]-[CH3]+ complex
Sb       -0.3467750       -0.0190760        0.0020440
F       -0.6810740        1.6382370       -0.7607190
F       -2.0982120       -0.5969900        0.0447070
F       -0.3641240        0.7744610        1.6800920
F        0.4063300       -1.5403350        0.7548590
F        0.0343680       -0.7019070       -1.6831090
F        1.6702260        0.6917450       -0.0696920
C        2.9174630       -0.1095740        0.0177520
H        2.9596760       -0.4732060        1.0424390
H        2.8177760       -0.8960490       -0.7290270
H        3.6956540        0.6126640       -0.2193900
15
2
H2
H        0.0000000        0.0000000        0.3713520
H        0.0000000        0.0000000       -0.3713520
TS2m
C       -3.0821590        1.1818580        0.0045820
H       -2.4871730        0.4280200       -0.5078480
H       -1.9944860        2.4972640       -0.2057770
H       -3.6937210        1.8700580       -0.5743990
H       -3.1323250        1.2084030        1.0899990
H       -1.5558630        2.0117120        0.2019510
F        1.1077660        1.6254120       -0.8222790
F        2.4636600        0.3784620        1.0972010
F        2.1718400       -0.7706740       -1.2901360
F       -0.1801880        0.6506170        1.2811290
F       -0.4691200       -0.4929510       -1.0908130
Sb        1.0061420       -0.0623890       -0.0008270
F        0.8837530       -1.7439290        0.8265650
C       -4.7702270       -0.2128550        0.0041940
O       -5.6418410       -0.9337590       -0.0036740
2
CO
C        0.0000000        0.0000000       -0.6496770
O        0.0000000        0.0000000        0.4872570
13
TS3m
Sb	  -1.0133710	   -0.6347180	    -1.0206250
C	  -3.9009630	    0.5605950	    -0.2551260
H	  -4.2771220	    0.5761260	    -1.2758120
H	  -4.1533010	   -0.2635410	     0.4085390
H	  -3.3207000	    1.4006290	     0.1214480
F	  -0.8654660	   -1.3373020	     0.7302570
F	  -1.5123070	   -2.3429980	    -1.6611250
F	   2.8181700	    0.5562460	    -1.3093650
F	  -1.0753180	    0.0440770	    -2.7859380
F	   0.8032840	   -1.1122690	    -1.3167260
C	  -5.7034010	    1.5785000	     0.3616070
O	  -6.6453730	    2.1421930	     0.6331700
H	  -2.6854120	   -0.2023950	    -0.7512640
F	  -0.4109940	    1.0472470	    -0.3957320
H	   2.0950910	   -0.0449570	    -1.3036980
13
SbF5-methane-CO hydride abstraction TS
Sb       -0.5650780        0.0450500        0.0158050
H        0.5598180        1.2794250        0.2504930
C        2.3919680        2.4086810        0.1279330
F        0.2968840       -1.0745710        1.3098450
F       -1.8053740       -1.3542140       -0.2368430
F       -1.5309270        1.0216740       -1.3135290
F        0.4974710       -0.7695880       -1.3571170
H        3.2218960        2.1317280        0.7783120
H        2.4690910        2.2804900       -0.9537080
H        1.5437440        2.9466570        0.5543380
F       -1.7352760        0.7203610        1.3685620
C        2.9343590       -0.2986810        0.0128170
O        3.4451820       -1.3110990       -0.0272800
13
TS4m
Sb        0.1993470        0.2877850       -0.0318650
H        2.1747850       -0.5241220        0.0346900
F        1.2317260       -1.4437550        0.2333700
F        0.2002270        0.5247150        1.8365860
F       -0.6229000        1.9428690       -0.2906970
F       -1.4164570       -0.6547590        0.2024060
F        0.0479780       -0.1309310       -1.8618090
C        2.2846320        0.8106050       -0.2110620
H        3.1693060        0.1165950       -0.0823060
H        2.4750790        1.5413660        0.5789510
H        2.4251740        1.1826860       -1.2282290
F       -3.8604060        0.3786620        0.2242600
H       -2.9951220        0.0180460        0.2147760
11
HF-SbF4CH3
Sb       -0.1542920        0.0594610       -0.0020680
C        0.6196710        1.9995910       -0.0413770
H        1.1989680        2.1081160       -0.9603000
H       -0.2466840        2.6670060       -0.0344630
H        1.2282140        2.1307520        0.8557340
F       -2.0222770        0.1476170       -0.0114400
F       -0.1041510       -0.0805270        1.9080060
F       -0.0733060       -1.8073270        0.0459450
F        2.1933280       -0.5348710        0.0176970
F       -0.0915330       -0.1769500       -1.9024740
H        2.8518380        0.1325710       -0.0268570
13
TS5m
Sb       -0.3228230       -0.3470470        0.0897190
F       -1.3926290       -1.4782880        1.1769960
F       -0.9384010        1.0975430        1.3069510
F       -1.7537030        0.3395950       -1.0229110
F       -0.3767360       -1.8470010       -1.2054040
C        2.2525020        0.2045500        0.0084800
H        2.0158300        1.2658260       -0.0059590
H        2.3966840       -0.3029480        0.9604200
H        2.3260610       -0.3543980       -0.9213140
C        4.3088050        0.6445080       -0.0962530
O        5.4180100        0.8514000       -0.1668800
F       -3.3436580        2.2890390       -0.4903640
H       -2.7403930        1.5773770       -0.6345660
6
[CH3CO]+
C        1.2016620        0.0003970        0.0001160
H        1.5413280       -0.7862280       -0.6895280
H        1.5396940       -0.2057470        1.0261980
H        1.5422630        0.9908440       -0.3340530
C       -0.2008710       -0.0005970       -0.0010760
O       -1.3285040        0.0002920        0.0003930
5
[SbF4]-
F        0.0000000        2.0185360       -0.0099160
F        1.4094220        0.0000000       -0.9832100
F       -1.4094220        0.0000000       -0.9832100
F        0.0000000       -2.0185360       -0.0099160
Sb        0.0000000        0.0000000        0.3505150
15
[SbF4]-(HF)2[CH3CO]+ complex
Sb       -0.3705710       -0.2577700        0.0781630
F       -1.6657990       -0.4236830        1.4931840
F        0.3624590        1.2562910        1.1770210
F       -1.3739770        1.2027610       -0.7861140
F       -1.8113980       -1.3955640       -0.9711360
C        4.9786660       -0.5194880       -0.2017710
O        6.0416650       -0.8769880       -0.3200220
F       -1.0404240        3.7022320       -0.5063390
H       -1.1413720        2.7617200       -0.5665560
H       -3.2204380       -1.6492540       -0.5325020
F       -4.1254860       -1.8360860       -0.2688570
C        3.6559190       -0.0781970       -0.0520250
H        3.1139460       -0.8404360        0.5267280
H        3.6763560        0.8818270        0.4845510
H        3.2214160        0.0408360       -1.0554050
14
C4H10 (isobutane)
C       -0.0002880       -0.0001950       -0.3825400
H        0.0001020       -0.0010250       -1.4848820
C       -1.3831870       -0.4216850        0.0958800
H       -1.6438500       -1.4291130       -0.2545640
H       -1.4208120       -0.4323400        1.1957060
H       -2.1612640        0.2685350       -0.2559080
C        0.3261130        1.4081270        0.0958110
H        0.3374830        1.4455740        1.1956230
H        1.3124100        1.7369990       -0.2573920
H       -0.4166430        2.1373150       -0.2537920
C        1.0570480       -0.9862630        0.0959360
H        0.8486580       -2.0058580       -0.2543620
H        2.0590100       -0.7079870       -0.2566350
H        1.0867870       -1.0120040        1.1956790
22
TS6m
C        3.1312300       -0.0019450       -0.0887830
H        2.3374400       -0.0949400       -0.9584040
H        1.6788350        0.3548060       -0.4186740
F        0.5952950        0.9128890       -0.1623790
F       -1.3957170        0.3464030       -1.8387090
F       -1.8653670        1.6601290        0.3934100
F       -0.2549480       -1.5851040       -0.4630540
F       -0.7692700       -0.2961100        1.7769310
Sb       -1.1691940       -0.0175520       -0.0233650
F       -2.8149470       -0.8722540        0.1134280
C        3.6067340        1.4288370        0.0791920
H        3.8139980        1.8987230       -0.8880130
H        2.8876760        2.0462210        0.6290460
H        4.5386140        1.4082380        0.6568020
C        2.7290520       -0.6635450        1.2179390
H        2.0261910       -0.0564950        1.7990730
H        2.2983910       -1.6574170        1.0556760
H        3.6395010       -0.7815750        1.8175760
C        4.1500480       -0.8524170       -0.8462930
H        3.7826960       -1.8710800       -1.0075760
H        4.4110070       -0.4071650       -1.8117340
H        5.0567390       -0.9033300       -0.2311310
7
[SbF6]-
Sb        0.0000000        0.0000000        0.0000000
F        0.0000000        0.0000000        1.8796640
F        0.0000000        1.8796640        0.0000000
F       -1.8796640        0.0000000        0.0000000
F        0.0000000        0.0000000       -1.8796640
F        0.0000000       -1.8796640        0.0000000
F        1.8796640        0.0000000        0.0000000
15
[H2C4H9]+
C        0.0000080       -0.0274750        0.2834290
H       -0.0000860        0.4701430        1.4363860
C       -1.2823080       -0.7249110       -0.1268440
H       -1.2978560       -1.7698190        0.1960050
H       -2.1633340       -0.2062940        0.2614990
H       -1.3160290       -0.6991570       -1.2218890
C        1.2826080       -0.7243920       -0.1268440
H        1.3163230       -0.6986200       -1.2218890
H        2.1634270       -0.2054260        0.2615050
H        1.2985740       -1.7692960        0.1959980
C       -0.0003040        1.4563740       -0.1293580
H       -0.8969980        1.9798480        0.2135360
H        0.8961960        1.9802060        0.2134970
H       -0.0003210        1.4383690       -1.2249010
H        0.0000750       -0.3975290        1.4879540
22
[H2C4H9]+ [SbF6]- complex
C        3.2063250        0.0095460       -0.0732520
H        2.5158050       -0.1931920       -1.0813960
H        2.0204560        0.2488850       -0.5078050
F        0.4664630        0.9842120       -0.1324140
F       -1.4501220        0.3257590       -1.8493310
F       -2.0620860        1.5826260        0.4049410
F       -0.1988530       -1.5553550       -0.4644120
F       -0.8263260       -0.3082050        1.7941190
Sb       -1.1616960       -0.0040170       -0.0256730
F       -2.7567420       -0.9813810        0.0774780
C        3.5819940        1.4600090        0.1647730
H        3.7596660        1.9877570       -0.7768530
H        2.8222820        1.9920110        0.7451980
H        4.5135340        1.4566000        0.7420310
C        2.7842240       -0.7582350        1.1638420
H        2.0008500       -0.2376270        1.7234690
H        2.4492070       -1.7697680        0.9159470
H        3.6696500       -0.8330970        1.8055050
C        4.2952230       -0.7354470       -0.8638300
H        4.0041880       -1.7645040       -1.0930160
H        4.5651580       -0.2103040       -1.7844190
H        5.1680670       -0.7560290       -0.2019750
13
22
TS7m
C        3.5079360        0.0000600       -0.1304860
H        5.0418800       -0.0077110       -0.3146070
C        2.9635900       -1.2660420       -0.7072440
H        2.8649710       -1.2220660       -1.7951870
H        3.5552290       -2.1354680       -0.4082090
H        1.9593010       -1.3767930       -0.2736790
C        2.9824450        1.2913140       -0.6677670
H        1.9714370        1.3939000       -0.2473880
H        3.5765820        2.1444270       -0.3296220
H        2.8987090        1.2865960       -1.7579150
C        3.7835740       -0.0251060        1.3419640
H        4.3027170       -0.9350280        1.6550100
H        4.3204070        0.8645160        1.6822690
H        2.7875900       -0.0222830        1.8072760
H        4.7483250        0.0013020       -1.0427730
F        0.3849240       -0.0780400        1.1462760
Sb       -1.1204470        0.0001090        0.0184040
F       -2.2442410       -0.0979880        1.5212670
F       -1.1134010       -1.8760360       -0.1062620
F       -1.1042900        1.8760540        0.1447360
F        0.0030520        0.0975680       -1.4863890
F       -2.6271140        0.0786320       -1.1010250
C4H9+ (t-butyl cation)
C       -0.0017000       -0.0007420       -0.0027270
C        1.0542390       -0.9977450       -0.0019220
H        0.6978240       -2.0272780       -0.0573990
H        1.7477630       -0.7688100       -0.8264300
H        1.6650370       -0.8371400        0.9013790
C        0.3366790        1.4108510        0.0093200
H        0.0188910        1.8009950       -0.9746880
H       -0.2999660        1.9488480        0.7248420
H        1.3977240        1.6150190        0.1613990
C       -1.3924600       -0.4142090       -0.0087350
H       -1.5576680       -0.9083230        0.9663520
H       -2.1031870        0.4052040       -0.1293290
H       -1.5469660       -1.2174460       -0.7417430
22
TS8m
Sb        0.7304620       -0.3439590       -0.0010750
H       -1.0421790       -0.2805600        0.0669690
C       -2.4735190       -0.1275780        0.0099490
C       -2.8111580       -0.7106190        1.3337860
H       -2.3806260       -0.1394800        2.1618900
H       -3.9084880       -0.6366120        1.4124610
H       -2.5428140       -1.7683210        1.4059680
C       -2.7592760       -0.9485440       -1.1940770
H       -3.8490040       -0.8759360       -1.3448110
H       -2.2768070       -0.5528100       -2.0931880
H       -2.5128840       -2.0040500       -1.0491920
C       -2.5776410        1.3477030       -0.1314220
H       -2.1265470        1.7128260       -1.0590300
H       -3.6586850        1.5579470       -0.1814280
H       -2.1775450        1.8792110        0.7369330
F        0.7400440       -1.2920170        1.6303100
F        0.6483070       -1.9546680       -0.9784200
F        0.6587910        0.6637140       -1.5981510
F        2.5915480       -0.3488230       -0.0512330
F        0.7620540        1.2999040        0.9942150
F        0.4214670        3.6824910       -0.0452150
H        0.5516890        2.8285180        0.3252700
9
[HF-F5SbH]-
Sb        0.3301530       -0.0047870       -0.1803550
F        0.7878710        1.8595790       -0.1916040
F        2.1397740       -0.4732420       -0.5962180
F       -1.4366910        0.4774740        0.5305290
F        0.8669600        0.0236940        1.6340030
F       -0.0964750       -1.8519160        0.1251800
H       -2.9030820        0.1551100        0.0036840
F       -3.7866200       -0.0245760       -0.2858910
H       -0.2080650       -0.0100740       -1.7495490
7
[F5SbH]-
Sb        0.0000000        0.0000000        0.2120870
F        0.0000000        1.9199080        0.0691580
F        0.0000000        0.0000000       -1.6866920
F        0.0000000       -1.9199080        0.0691580
F       -1.9199080        0.0000000        0.0691580
F        1.9199080        0.0000000        0.0691580
H        0.0000000        0.0000000        1.8740820
13
F5SbH-SbF5- fluoride transfer TS
Sb       -1.6341740       -0.0000370        0.0407120
Sb        1.9929260        0.0000860       -0.2227440
H        3.0318680        0.0004150       -1.5081670
F       -3.5098810        0.0008090        0.1802120
F       -2.0410310        0.0005750       -1.7972470
F       -1.3017850        1.8214980        0.0143820
F       -1.7636990       -0.0015240        1.9184210
F       -1.3019310       -1.8215750        0.0125290
F        0.4755580       -0.0001700        1.0458970
F        0.3123370        0.0005910       -1.2820810
F        1.8209040       -1.8893420       -0.0911320
F        3.1181700       -0.0006670        1.2879580
F        1.8215570        1.8894770       -0.0898450
22
6
F4SbH
Sb       -0.0001910       -0.0000200       -0.2220800
F       -1.7124490       -0.7611360       -0.0627370
F        1.5205850       -1.0946730       -0.0628070
F        0.1938720        1.8627390       -0.0566660
F       -0.0008290       -0.0067420        1.6492920
H       -0.0008760       -0.0006860       -1.8776610
TS 9m
Sb        0.5664370       -0.3114640       -0.1311990
H       -2.1133990        0.7027570       -0.7576420
F        3.8968590        1.9476350        0.3507060
F        1.4474890        0.8444550       -1.4579110
F        1.5308650       -1.7106630       -0.9575250
C       -3.0631430        0.4696150       -0.0268900
C       -2.7660690        0.9631210        1.3648010
H       -2.4291330        2.0053530        1.3624260
H       -2.0197310        0.3417290        1.8755690
H       -3.6944970        0.9051730        1.9469990
C       -3.3712010       -1.0023470       -0.1115970
H       -4.2980370       -1.1877150        0.4461520
H       -3.5230010       -1.3267280       -1.1464910
H       -2.5802540       -1.6101960        0.3454440
C       -4.0391080        1.3466510       -0.7868520
H       -4.1584650        1.0198120       -1.8246750
H       -5.0129610        1.2553800       -0.2854920
H       -3.7422070        2.4000240       -0.7670340
H       -1.3313430        0.3058090       -0.4297510
F        0.3252080       -1.5819900        1.3501550
F        1.9422380        0.3924130        1.0189630
H        3.1679650        1.3843860        0.5493700
20
F4SbH-isobutane protonation TS
Sb       -0.9006130        0.0021880       -0.0759510
H        1.9240220        0.0356620       -0.9175990
F       -1.9041310        0.0093170        1.5347170
F       -1.1622340       -1.9609750       -0.0072200
F       -2.3438300       -0.0232360       -1.3065050
C        2.8202480        0.0065720       -0.0687230
C        2.6917790       -1.2463700        0.7553550
H        2.6137870       -2.1407500        0.1279790
H        1.8339640       -1.2064930        1.4386840
H        3.5968020       -1.3355120        1.3695000
C        2.7654980        1.2833060        0.7262680
H        3.6527640        1.3160320        1.3713300
H        2.7773880        2.1672600        0.0799240
H        1.8817510        1.3210240        1.3766780
C        3.9394110       -0.0421380       -1.0899790
H        3.9447060        0.8433390       -1.7333030
H        4.8838160       -0.0636190       -0.5282400
H        3.8888800       -0.9443600       -1.7075620
H        1.1105930        0.0149270       -0.5023680
F       -1.1985640        1.9607460       -0.0475540
12
Sb2F10
Sb       -1.8863120        0.0081520        0.0078060
Sb        2.0116410       -0.0178490       -0.0164350
F       -1.7010030       -1.2789470        1.3298580
F       -2.2642830       -1.3327740       -1.2113370
F       -1.6831690        1.1973990       -1.4006380
F       -3.6113930        0.4908580        0.4292290
F       -0.9962160        1.2140530        1.1074920
F        0.1703760       -0.5300340       -0.4701580
F        2.4817930       -1.3468210       -1.1663150
F        1.5744570       -0.4263140        1.7016770
F        1.5745220        1.6327440       -0.6432150
F        3.7447130        0.4347870        0.3723050
14
Sb2F11H
Sb        1.8803270        0.0511810        0.0132670
F        2.4236050        1.2631090        1.2876800
F        3.9725830       -0.4257390       -0.1502020
F        2.2418940        1.2884840       -1.3002320
F        1.5498180       -1.2202440       -1.2785220
F        0.0237930        0.5549900        0.1824310
F        1.7978660       -1.2625260        1.3024680
H        4.2846170       -1.3239860       -0.1575870
Sb       -2.0879570       -0.0108340       -0.0025880
F       -2.0883220        0.3001460        1.8241040
F       -2.2775680        1.8108400       -0.2816120
F       -1.6446960       -0.2117040       -1.7915700
F       -1.4327210       -1.7156210        0.3200470
F       -3.8657540       -0.4632620       -0.1575980
16
Sb2F11-H2F
Sb       -2.0976150        0.0015790        0.0011810
Sb        1.8601140       -0.4564260        0.0359210
F       -3.8961580        0.0442720       -0.4045550
F       -1.8463020       -1.8020470       -0.3541520
F       -1.4911640        0.4044480       -1.7058200
F       -1.9403280        1.7953900        0.4483810
F       -2.3057700       -0.4010360        1.7998650
F       -0.0151420       -0.0487540        0.5107370
F        1.2152750       -1.0442250       -1.5792780
F        1.6865730        1.4001220       -0.9317680
F        1.7708720       -2.0694150        0.9011860
F        2.2728640        0.5506540        1.5184150
F        3.6063340       -0.5064040       -0.5364780
H        1.7696240        2.2889280       -0.4789240
F        1.8487430        3.5961880        0.0714520
H        2.1908000        3.6355170        0.9448280
19
TS1d
C       -5.5482020       -0.9903610        0.0331830
H       -5.4499320       -2.0745430        0.0732490
H       -5.3225510       -0.7170990       -1.0194930
H       -6.5538880       -0.6036620        0.1966540
H       -4.9582760       -0.6036860        0.8875770
H       -4.4390100       -0.1791150       -0.2628670
F       -3.4794630        0.5319880       -0.5190170
F       -1.2006630        1.9439340       -0.3632990
F       -1.1867310       -0.2960390       -1.7127680
F       -2.0201220        0.6497990        1.7648500
F       -2.0420400       -1.5753630        0.3994070
Sb       -1.6186820        0.1853920        0.0199540
F        0.2512470       -0.1356650        0.5824190
Sb        2.2981390       -0.0989040        0.0011250
F        2.4695780        1.1120710        1.3967310
F        1.7588490        1.2876470       -1.1094590
F        1.7481420       -1.3164550       -1.2876310
F        2.4450290       -1.4883350        1.2214780
F        4.0740150       -0.0792060       -0.5004080
19
[Sb2F11]-[CH5]+
C        5.5150220        1.3405920        0.0515420
H        5.1906140        2.2974610       -0.3499780
H        5.4644500        0.6746200       -0.9070200
H        6.5782090        1.1897440        0.2364970
H        4.9959210        1.1438590        1.0039920
H        4.8302290        0.3975640       -0.2152990
F        3.4166600       -0.8524780       -0.2532360
F        1.0426000       -1.9383930        0.5208840
F        1.1574850       -0.6243910       -1.7503160
F        1.9377970        0.1795500        1.7842070
F        2.0652420        1.4828150       -0.4778780
Sb        1.6570540       -0.2659800        0.0024370
F       -0.2413220        0.4084160        0.2898610
Sb       -2.2756960        0.1375540        0.0021900
F       -1.8472980       -1.5880940       -0.5387080
F       -4.0989230       -0.0687320       -0.2414180
F       -1.9419620        0.7409340       -1.7248760
F       -2.3908810        1.8973930        0.5868250
F       -2.2770440       -0.4366930        1.7698310
21
TS2d
C        4.4633610       -1.6523170       -0.8751390
H        4.3826480       -0.6091090       -0.5796630
H        3.2166770       -1.6540670       -2.0627530
H        5.0224340       -1.9116150       -1.7715260
H        4.0641970       -2.4438510       -0.2461320
H        2.8261760       -1.4620250       -1.4271010
F        0.6784570        0.4506230       -1.7340830
F       -0.8117870        0.4851170        0.4915280
F        0.4221900        2.6779810       -0.3635390
F        1.5334210       -0.7783530        0.4117070
F        2.8567530        1.4338630       -0.4365070
Sb        1.1077490        0.9885620       -0.0063450
F        1.2734020        1.4388000        1.7888300
C        6.3422370       -1.7667760        0.2529120
O        7.3127250       -1.8143670        0.8319410
Sb       -2.5375300       -0.5538660        0.0451990
F       -2.1413010       -1.5334940        1.5750330
F       -3.3702260        0.7308270        1.0998450
F       -4.0969900       -1.4777610       -0.3355380
F       -1.4456480       -1.6862970       -0.9462000
F       -2.6681250        0.5854350       -1.4195780
17
TS3d
Sb       -1.9356010       -0.3963740       -0.0743190
H       -3.4858110       -0.8843330       -0.3861340
C       -5.4491230        1.5392730        0.0822930
F       -1.4367960       -1.5684380        1.3207720
F       -0.9484660       -1.4950750       -1.2479460
F       -1.7442740        1.0011760       -1.3347030
F        0.0907980        0.3213430        0.3775550
F       -2.2633430        0.9243510        1.2416900
H       -5.0812060        2.4236130        0.6091590
H       -5.4010140        1.4938180       -1.0088260
H       -5.8694650        0.7030130        0.6469420
Sb        2.0272710        0.1600230        0.0245440
F        2.2600790        0.2390590        1.8752770
F        2.0606570        2.0256140       -0.0436140
F        1.8210590       -1.6901990        0.1390450
F        1.6188460        0.1129720       -1.7948990
F        3.8588920        0.0272140       -0.2905500
17
Sb2F10-methane complex
C        4.1026770       -0.5354810       -0.1804110
H        5.1960750       -0.6102300       -0.3930890
H        4.1545110       -0.7590200        0.8937950
H        3.8111230       -1.3402440       -0.8725330
Sb        1.9168030        0.0433110        0.0110030
F        2.1585910        1.8035300       -0.5322190
F        1.5358510       -0.4327780       -1.7420990
F       -0.0158540        0.4946820        0.2359880
F        1.5053440       -1.6787590        0.5709280
F        2.1402430        0.5711650        1.7764130
H        4.1658940        0.5180100       -0.5306810
Sb       -2.0395870       -0.0139390       -0.0029900
F       -1.4153480       -1.2720060       -1.2179030
F       -2.3023140        1.3307090        1.2502950
F       -3.8284870       -0.4350810       -0.1986480
F       -2.0146900        1.2688980       -1.3459500
F       -1.7279660       -1.2163160        1.3783440
19
TS4d
Sb        2.2126150       -0.0618380       -0.0746160
H        3.8830960        1.1725000        0.5053450
F        2.6796470        1.6440310        0.8826370
F        1.8369930        0.9494190       -1.5989870
F        1.6830430       -1.6160970       -0.9365000
F        0.2854880        0.4348050        0.3497580
F        2.0621180       -0.8969830        1.5873380
C        4.3391740        0.0547850       -0.1639230
H        4.9424830        0.9551210        0.2035840
H        4.6206140        0.0634330       -1.2212010
H        4.7576350       -0.7681570        0.4197580
Sb       -1.7015300       -0.0422680        0.0669230
F       -1.1804300       -0.6233400       -1.6175520
F       -1.2532450       -1.7037680        0.7644050
F       -1.8675920        1.6836410       -0.5924560
F       -1.9397670        0.6055290        1.7884960
F       -3.4994170       -0.4758230       -0.1832140
H       -5.1463540        0.1296160       -0.2200890
F       -6.0466040        0.3794980       -0.2563160
17
HF-F9Sb2CH3
Sb       -2.0536520       -0.1451550       -0.0030940
C       -3.9452650        0.7370800        0.0130190
H       -4.0075950        1.3533100       -0.8866000
H       -4.6714570       -0.0795250        0.0032350
H       -4.0025250        1.3273420        0.9304500
F       -2.1818980       -1.9948640       -0.0710390
F       -1.6047950       -0.0390810        1.8172070
F        0.0131200       -0.5332990        0.0024550
F       -1.1697530        1.9825100        0.1237270
F       -1.5713820        0.0751420       -1.8073120
H       -1.0235370        2.4843110       -0.6613180
Sb        1.9718860       -0.0061110        0.0018980
F        2.1988810       -1.4247580        1.1838980
F        2.1435610       -1.1817090       -1.4302120
F        1.4925040        1.3443090       -1.1894820
F        1.5294170        1.1097440        1.4244400
F        3.7666540        0.4627400        0.0126650
19
TS5d
Sb        1.6809490       -0.4359640        0.2217030
F       -0.4382850        0.5164220        0.2679220
F        0.7816120       -1.5490910       -0.9825530
F        3.1689680       -1.6655960        0.2242760
F        1.0140770       -1.2489660        1.7690820
C        2.6359420        1.8783030       -0.0291520
H        3.2204910        1.5938660       -0.9033690
H        1.6613540        2.3462400       -0.1576960
H        3.0898560        1.8400080        0.9603240
C        3.5518050        3.9588100       -0.2439670
O        4.0170550        4.9829240       -0.3696880
F        3.4722680       -3.9754170       -0.9738880
H        3.3277220       -3.1553400       -0.5382840
Sb       -2.3406950        0.1891000       -0.0670860
F       -1.8921180       -0.1644460       -1.8460230
F       -2.4870940        2.0076170       -0.4741430
F       -4.1545530       -0.1073720       -0.3831010
F       -2.6392960        0.5755730        1.7369330
F       -2.0383870       -1.6021430        0.367028011
[Sb2F9]-
Sb       -1.8213550       -0.0027070       -0.0137980
Sb        2.1934210        0.0070880       -0.2896990
F       -3.4306930       -0.7301250       -0.6336780
F       -1.4986680        0.7896010       -1.6835770
F       -2.6874140        1.5538870        0.5642450
F       -2.0791830       -0.7785050        1.6717570
F       -0.8697570       -1.5257150       -0.5691040
F       -0.1612880        0.7211630        0.5985330
F        2.5667050        1.4998610        0.8508690
F        1.9733990       -1.1407660        1.2275950
F        4.0785240       -0.4142270       -0.3068220
21
[Sb2F9]-(HF)2[CH3CO]+
Sb        1.4515580       -0.7963080       -0.5456330
F        0.8597250       -2.3910030       -1.4066340
F        3.2222240       -1.5272590       -0.4044510
F        1.0434510       -1.5691380        1.1916740
F       -1.2049780       -0.6899100       -0.3865710
C        5.1474140        2.9527090       -0.0075330
O        5.6255530        3.9657380       -0.1371880
F        2.5558920       -3.0674970        2.6673120
H        2.0065250       -2.5330340        2.1192220
H       -2.0141050       -2.1931180       -0.7620800
F       -2.5269530       -2.9589300       -0.9278530
C        4.5541290        1.6909860        0.1490000
H        4.0659130        1.4283250       -0.8013190
H        5.3483750        0.9718860        0.3954410
H        3.8204940        1.7591580        0.9657250
Sb       -2.2740190        0.8329370        0.1613400
F       -1.3068790        1.8679420       -1.0649320
F       -0.9647000        1.1773470        1.4564150
F       -3.2893030        2.3061280        0.6943350
F       -3.4969360        0.3837130       -1.1803260
F       -3.1688060       -0.2968760        1.3533250
TS6d
C        5.3067200       -0.6735290        0.8212640
C        5.0892090        0.5231100       -0.0947200
C        4.5428990        1.7293360        0.6425250
F        0.4101800       -0.7481090       -1.7499770
Sb        0.9831440       -0.3929950       -0.0298540
F        0.6147690       -2.1395520        0.4464910
F        1.5364850       -0.0397120        1.6983350
F        2.8183660       -0.9472930       -0.5283250
F        1.3712890        1.3482980       -0.5153870
F       -0.8435170        0.1639140        0.4908690
C        6.3652890        0.8420110       -0.8683370
H        3.6032190        1.5034590        1.1606140
H        4.3803900        2.5757070       -0.0335980
H        5.2789970        2.0303600        1.3982010
H        4.4394350       -0.8902860        1.4548640
H        5.5765300       -1.5757710        0.2612490
H        6.1442720       -0.4235680        1.4832150
H        4.4309770        0.3663450       -1.0471850
H        3.7667550       -0.2366700       -0.6065340
H        6.7267660       -0.0305830       -1.4224720
H        6.2193280        1.6727230       -1.5665890
H        7.1336980        1.1324520       -0.1411370
Sb       -2.9124280        0.2123170        0.0112890
F       -2.6507340       -1.5712350       -0.4338960
F       -2.3275520        0.6983070       -1.6819280
F       -2.7792930        1.9861690        0.5397370
F       -3.1174870       -0.2760000        1.7894350
F       -4.7137960        0.2546390       -0.3884870
13
[Sb2F11]-
Sb        1.9509260        0.0000080        0.0036480
Sb       -1.9522110        0.0002650        0.0054570
F        3.7127500        0.0005700       -0.5700560
F        1.3627030       -1.1815100       -1.3060580
F        2.1747600       -1.4275390        1.1747110
F        2.2463460        1.1765830        1.4134880
F        1.4412700        1.4353590       -1.0644030
F        0.0013700       -0.0046940        0.6483600
F       -1.7931570       -1.8533560        0.0124270
F       -1.2517480        0.0336340       -1.7160160
F       -1.8103850        1.8536020        0.0804750
F       -2.3552620       -0.0360110        1.8198270
F       -3.7213670        0.0018140       -0.5443480
28
TS7d
C        5.5327680        0.7373210        0.0685690
H        6.9411880        1.3074060        0.3633680
C        4.8248600        1.4343090       -1.0511600
H        4.4705390        2.4295860       -0.7692850
H        5.4340930        1.4821510       -1.9577920
H        3.9484910        0.8072530       -1.2683910
C        4.9100540        0.8277600        1.4209060
H        4.0255560        0.1754120        1.3780400
H        5.5707050        0.4466280        2.2041650
H        4.5764630        1.8420830        1.6553930
C        6.1721490       -0.5672270       -0.2895330
H        6.7488610       -0.5039910       -1.2160070
H        6.7838950       -0.9717490        0.5213550
H        5.3307860       -1.2544380       -0.4577790
H        6.5256240        1.9187430        0.1010570
F        2.6586840       -1.2354050       -0.2100010
Sb        0.9948600       -0.4379670       -0.0228960
F        0.0546250       -2.0218590       -0.2698100
F        0.8195990       -0.0559380       -1.8354190
F        0.9203960       -0.6926420        1.8185180
F        1.6631770        1.2741580        0.2581350
F       -0.8409260        0.4574800        0.1878030
Sb       -2.8772290        0.2252590        0.0112720
F       -2.9622930        1.2778780        1.5416560
F       -2.6434120       -1.2803920        1.0772260
F       -2.4901580       -0.7887170       -1.4998510
F       -4.7124940        0.0266550       -0.1417280
F       -2.7999020        1.7694550       -1.0214200
TS8d
Sb        1.3570980       -0.1439110        0.1930770
H        3.0927560       -0.1969140       -0.1751480
C        4.5187260       -0.0809050       -0.3440780
C        4.6944000       -1.2054690       -1.2911550
H        4.1689380       -1.0468790       -2.2368710
H        5.7767420       -1.2104990       -1.5103280
H        4.4421170       -2.1730650       -0.8490770
C        4.9326840       -0.2897140        1.0623060
H        6.0346110       -0.2342240        1.0393820
H        4.5772260        0.5017560        1.7288500
H        4.6611880       -1.2799450        1.4384950
C        4.5739470        1.2970040       -0.8830420
H        4.2151440        2.0435400       -0.1681770
H        5.6490350        1.4864740       -1.0465210
H        4.0703060        1.3933140       -1.8487760
F        0.8801030       -1.6191750       -0.8620130
F        1.4462980       -1.2672280        1.6913240
F        1.4573870        1.3386720        1.3370460
F       -0.6539310       -0.0726340        0.6303860
F        0.9158360        1.0066860       -1.2207320
F       -0.7131410        3.6670850        0.0248440
H       -1.2495980        2.9070560       -0.0753530
Sb       -2.5656090       -0.2179270       -0.0820910
F       -1.8055850       -0.3409000       -1.7703670
F       -2.4732340        1.6542930       -0.2217390
F       -3.0466380       -0.0307080        1.7000680
F       -2.3794740       -2.0513150        0.1432430
F       -4.3079440       -0.2917090       -0.6988320
15
[HF-F10Sb2H]-
Sb       -2.0243300        0.0939970        0.0003630
Sb        1.9046430       -0.6814230        0.0232310
F       -3.6826060        0.9247770       -0.1441070
F       -2.5054770       -1.2981650       -1.1442470
F       -1.3123230        1.0276660       -1.4471010
F       -1.3591320        1.3853410        1.1683750
F       -2.5475490       -0.9423170        1.4598890
F        1.6313550       -0.6265680       -1.8565040
F        1.8498730       -0.3996900        1.9025070
F        1.4721530        1.1657540       -0.0620350
F        3.7290360       -0.2697530       -0.1084020
H        1.8710120       -2.3293460        0.1310360
F       -0.2585210       -0.8208790        0.1537100
H        2.5560870        2.4569070       -0.0606130
F        3.1695170        3.1684090       -0.0636050
28
TS9d
Sb        1.5712010       -0.5908140       -0.1601320
H        2.3121160        2.2428980       -0.8064390
F        4.1769440       -4.0199870        0.1739840
F        0.9868620       -1.8816460       -1.3373820
F       -0.4505700        0.1613140       -0.4539140
C        2.2633130        3.1366590       -0.0983650
C        3.2198400        2.8865040        1.0497230
H        4.2490390        2.7468920        0.6978100
H        2.9298280        2.0018310        1.6344000
H        3.2079640        3.7487110        1.7304590
C        0.8321090        3.2940470        0.3766990
H        0.7570730        4.1853720        1.0145720
H        0.1379100        3.4188510       -0.4631500
H        0.5066360        2.4314600        0.9775370
C        2.7066210        4.2910190       -0.9816650
H        2.0296320        4.4324160       -1.8321600
H        2.7026450        5.2173240       -0.3888940
H        3.7226200        4.1407350       -1.3647970
H        2.0616790        1.0496980       -0.5239780
F        0.8429370       -1.1842510        1.4254250
F        3.1744930       -1.5440090        0.1640630
H        3.7898060       -3.1675970        0.1652560
Sb       -2.3882210       -0.0666000        0.0271220
F       -2.5576150        1.7562400       -0.3191040
F       -1.8717920        0.3216830        1.7756450
F       -2.6665240       -0.4247630       -1.7807870
F       -1.9946460       -1.8661350        0.3125670
F       -4.1812280       -0.2706520        0.4688990
13
[F10Sb2H]-
Sb        1.8727400        0.0055020        0.0062410
Sb       -2.1052350       -0.0045490       -0.2320840
F        3.6163360       -0.2606240        0.6036590
F        2.0908570       -1.1541890       -1.4398330
F        1.2042770       -1.4036950        1.0266040
F        1.4736930        1.1949790        1.3857600
F        2.3621760        1.4400550       -1.0820710
F       -1.6737540       -1.8570600       -0.1106350
F       -2.2207390        1.8963680       -0.1249380
F       -1.4475640        0.1020340        1.5157100
F       -3.8629650       -0.2604940        0.3758610
H       -2.2565190       -0.0301210       -1.8769870
F        0.0258790        0.3005770       -0.6617850
21
HF-F10Sb2H-SbF5 fluoride transfer TS
Sb        3.1026770       -0.6740890       -0.1876360
Sb        0.0681880        1.6835150        0.0015730
H       -0.4370070        3.2506970        0.0711720
F        4.5642370       -1.7958810       -0.3389150
F        4.2955490        0.7521820       -0.2514730
F        2.5250550       -0.2862380       -1.8913950
F        2.0394400       -2.1974930       -0.1381960
F        2.8213450       -0.3774700        1.6058810
F        0.4797610       -0.1753000        0.0173370
F        1.9672680        1.7886520       -0.0104190
F       -0.0030800        1.4458600        1.9121560
F       -1.9105410        0.9965850        0.0356630
F       -0.0367040        1.4829120       -1.8733400
Sb       -3.1972660       -0.5667130       -0.1526040
F       -4.0498690        0.4793820       -1.4348660
F       -4.1832260        0.2874690        1.1760620
F       -2.0433330       -1.2127320       -1.4622580
F       -2.1660700       -1.3929600        1.1560180
F       -4.3886740       -1.9797370       -0.3113340
H        0.1624040        0.0491920        2.8354290
F        0.2689570       -0.6905920        3.4052360
14
HF-F9Sb2H
Sb        1.8194650       -0.0756010       -0.0010400
F        2.5059120       -1.7973640       -0.1071600
F        3.4712920        0.7589720        0.0535650
F        0.8666550        1.5424810        0.1052070
F        1.6871490        0.0087320       -1.8521840
F       -0.0042620       -0.9507560       -0.0612000
F        1.6890110       -0.2247670        1.8465620
Sb       -2.1069680       -0.5677920       -0.0228770
H       -2.2645660       -2.2005890       -0.1489300
F       -3.8483880        0.0712870        0.0332630
F       -1.6336300        0.3300730        1.5020390
F       -1.6495140        0.5409050       -1.4081300
H       -0.4490800        2.6966270        0.0336350
F       -1.1535220        3.3112170        0.0363790
28
TS10d
Sb        1.5712010       -0.5908140       -0.1601320
H        2.3121160        2.2428980       -0.8064390
F        4.1769440       -4.0199870        0.1739840
F        0.9868620       -1.8816460       -1.3373820
F       -0.4505700        0.1613140       -0.4539140
C        2.2633130        3.1366590       -0.0983650
C        3.2198400        2.8865040        1.0497230
H        4.2490390        2.7468920        0.6978100
H        2.9298280        2.0018310        1.6344000
H        3.2079640        3.7487110        1.7304590
C        0.8321090        3.2940470        0.3766990
H        0.7570730        4.1853720        1.0145720
H        0.1379100        3.4188510       -0.4631500
H        0.5066360        2.4314600        0.9775370
C        2.7066210        4.2910190       -0.9816650
H        2.0296320        4.4324160       -1.8321600
H        2.7026450        5.2173240       -0.3888940
H        3.7226200        4.1407350       -1.3647970
H        2.0616790        1.0496980       -0.5239780
F        0.8429370       -1.1842510        1.4254250
F        3.1744930       -1.5440090        0.1640630
H        3.7898060       -3.1675970        0.1652560
Sb       -2.3882210       -0.0666000        0.0271220
F       -2.5576150        1.7562400       -0.3191040
F       -1.8717920        0.3216830        1.7756450
F       -2.6665240       -0.4247630       -1.7807870
F       -1.9946460       -1.8661350        0.3125670
F       -4.1812280       -0.2706520        0.4688990
28
[HF][F9Sb2]-[H2][C4H9]+ complex
Sb        1.8877690       -0.4530480       -0.3360210
H        1.7675160        3.6093470       -1.3297330
F        4.5552460       -3.5688920        0.2328220
F        1.3220410       -2.2419330       -0.6839640
F       -0.5622400       -0.0857820       -0.7101140
C        1.3481650        3.7357110       -0.1513900
C        2.4152810        3.5666170        0.9092810
H        3.3676860        4.0048090        0.5979240
H        2.5642070        2.5129590        1.1705350
H        2.0610810        4.0954620        1.8013910
C        0.0106700        3.0987650        0.1774030
H       -0.4357670        3.7034250        0.9753310
H       -0.6664750        3.0976720       -0.6821220
H        0.1337610        2.0799780        0.5560020
C        1.1828880        5.2031690       -0.5880260
H        0.4379890        5.3135380       -1.3810330
H        0.8233290        5.7188420        0.3093540
H        2.1301310        5.6541480       -0.8965180
H        1.7252390        2.8311700       -0.9432590
F        1.2309360       -0.5312750        1.4537990
F        3.5933240       -1.1891540        0.3201510
H        4.1741660       -2.7058690        0.2710380
Sb       -2.3061900       -0.4110660        0.0350390
F       -2.9315790        1.0441580       -0.9675310
F       -1.8973750        0.7486460        1.4485180
F       -2.6530580       -1.5526320       -1.4094480
F       -1.5871510       -1.8431470        1.0026860
F       -4.0129720       -0.7212370        0.7372580
4
SbF3
F        1.4882190       -0.5044170        0.7134180
F       -1.1820700       -1.0349670        0.7135590
F       -0.3065270        1.5421820        0.7115330
Sb        0.0000670       -0.0004940       -0.3773840
26
F9Sb2H-isobutane protonation TS
Sb        1.6037220       -1.1127250       -0.0747900
H        1.5595380        1.8231000       -0.6744710
F        1.5461550       -2.4150120       -1.3811690
F       -0.5445870       -1.0032270       -0.6486040
C        2.0759270        2.6577920       -0.0889100
C        3.5624050        2.3678800       -0.0426240
H        3.9877650        2.2640090       -1.0481680
H        3.7813140        1.4517190        0.5242460
H        4.0796230        3.1965530        0.4598190
C        1.4632590        2.7131830        1.2953320
H        1.9366020        3.5232400        1.8673310
H        0.3849650        2.9087450        1.2572540
H        1.6294440        1.7782140        1.8491760
C        1.7552240        3.8915080       -0.9159220
H        0.6750240        4.0670880       -0.9816120
H        2.2110030        4.7698460       -0.4360850
H        2.1597830        3.8144630       -1.9318220
H        1.6035590        0.6178790       -0.3968270
F        0.8671230       -2.0264580        1.3499690
F        3.3403310       -1.5898680        0.4347800
Sb       -2.0503130        0.1320440       -0.0039680
F       -1.2195090        1.5409240       -0.9032710
F       -0.9448210        0.4592470        1.4697030
F       -2.9499850       -0.3388030       -1.5637880
F       -2.7127130       -1.3915320        0.8396910
F       -3.4234830        1.2111410        0.6294190
13
structure from Figure S1 a
Sb        0.3863390       -0.0147440       -0.0008480
F        0.7106640        0.6494170        1.7163240
F        2.0236210       -0.9087870       -0.0362570
F        1.1236490        1.5355310       -0.7387020
F       -0.0569970       -0.6204820       -1.7147990
F       -0.4910930       -1.4941350        0.7373140
F       -1.3255930        0.9200630        0.0365500
C       -3.0932480        0.1310750        0.0098560
H       -4.9372370       -0.2747700       -0.2321640
H       -3.5203810        1.1129160       -0.1747220
H       -2.8492460       -0.5180660       -0.8266820
H       -2.9994990       -0.2250550        1.0321650
H       -4.6956760       -0.8639850        0.1816160
20
structure from Figure S1 b
C        0.4265320        1.3523580        0.1295880
H       -0.3054300        0.8096920        0.7237390
H       -0.7908360        2.7799090       -0.2510550
H        0.9303510        2.2162360        0.5553900
H        0.5821090        1.0962890       -0.9157640
H       -1.1437680        2.1879490       -0.5730710
F       -4.0633360        1.7379520       -0.0063230
F       -4.8266040       -0.4078500       -1.3798750
F       -4.9182000       -0.4258600        1.2830590
F       -2.2514570        0.2681640       -1.2776990
F       -2.3463730        0.2507190        1.3719450
Sb       -3.5929020       -0.0818010       -0.0020700
F       -3.1090510       -1.8967290        0.0025400
F        1.8153950        0.1478030        0.7366640
Sb        3.6004880       -0.0881530       -0.0129780
F        4.2902370        0.5938900        1.5849590
F        3.6007680       -1.8054320        0.7237690
F        5.3074300       -0.3123490       -0.7337070
F        2.7872100       -0.7495370       -1.5625470
F        3.4674840        1.6507190       -0.6927090
22
TS9m (no solvent model)
Sb         0.89710       -0.95320       -0.76180
H         -1.62160        0.53450       -0.73800
F         -0.23630        2.55440       -0.10290
F          2.33540       -0.19060       -1.82110
F          2.13130       -2.18140       -0.07170
C         -2.79680        0.52640        0.23850
C         -2.08840        0.69010        1.52510
H         -1.68400        1.69530        1.66000
H         -1.30590       -0.07590        1.64040
H         -2.82880        0.48370        2.31540
C         -3.37120       -0.81530       -0.03860
H         -4.24010       -0.93790        0.62640
H         -3.72240       -0.91830       -1.06960
H         -2.65090       -1.60320        0.21340
C         -3.42620        1.72550       -0.37720
H         -3.80450        1.53670       -1.38580
H         -4.28560        1.98510        0.26330
H         -2.74650        2.58340       -0.37270
H         -1.06640        0.05930       -1.10600
F         -0.36770       -1.61630        0.67250
F          1.17670        0.52860        0.46740
H          0.43740        1.94240        0.15050
20
F4SbH-C4H10 protonation TS (no solvent model)
Sb        -1.11640        0.36720       -0.49290
H          1.81520       -0.00170       -1.08660
F         -0.48240        1.72990        0.67350
F         -0.10440       -0.89900        0.76560
F         -2.66830       -0.15840        0.42650
C          2.96400       -0.19500        0.08520
C          2.72870       -1.61450        0.40010
H          3.09950       -2.29570       -0.37010
H          1.65680       -1.77180        0.61290
H          3.24760       -1.82960        1.34820
C          2.47940        0.80140        1.05960
H          3.16330        0.75000        1.92350
H          2.49760        1.82460        0.67400
H          1.47630        0.54800        1.42770
C          4.06450        0.17730       -0.83930
H          3.98500        1.20760       -1.19780
H          4.99540        0.10670       -0.25100
H          4.16310       -0.51630       -1.67930
H          1.02830        0.05270       -1.26560
F         -2.17710        1.71350       -1.41840
28
TS8d  (no solvent model)
Sb         1.19310       -0.86420        0.01200
H          2.89670       -0.47550       -0.01840
C          4.09380        0.82470       -0.03270
C          5.20590       -0.15220       -0.07460
H          5.20500       -0.75770       -0.98470
H          6.12780        0.45450       -0.08770
H          5.24900       -0.78530        0.81550
C          3.76160        1.47200        1.24800
H          4.50720        2.28080        1.35220
H          2.77530        1.94800        1.23500
H          3.87470        0.80670        2.10810
C          3.69960        1.50770       -1.27670
H          2.71980        1.99050       -1.19910
H          4.44670        2.31260       -1.39960
H          3.76130        0.86450       -2.15860
F          1.31490       -2.16470       -1.31830
F          1.36170       -2.19640        1.30510
F          0.94470        0.40350        1.37460
F         -0.77960       -1.07560        0.04770
F          0.88790        0.43700       -1.30580
F          1.09530        2.93250        0.06310
H          0.29020        2.45150        0.07020
Sb        -2.49930        0.20070       -0.00890
F         -2.19920        0.15960       -1.83080
F         -1.26680        1.62470        0.09130
F         -2.39230        0.06760        1.83020
F         -3.41800       -1.39890       -0.09630
F         -3.97120        1.30330       -0.05820
22
TS8m  (no solvent model)
Sb         0.99250       -0.59910       -0.35650
H         -0.41030        0.37450       -0.49720
C         -2.44300        0.16810        0.01510
C         -2.37070       -0.02340        1.46260
H         -1.52930        0.56220        1.86580
H         -3.25770        0.46180        1.90230
H         -2.29110       -1.06740        1.76560
C         -2.61280       -0.99280       -0.85900
H         -3.64130       -1.34870       -0.66340
H         -2.50330       -0.77140       -1.92230
H         -1.95510       -1.81710       -0.55640
C         -2.62630        1.53200       -0.50210
H         -2.34910        1.62680       -1.55490
H         -3.71020        1.73300       -0.42770
H         -2.11310        2.27440        0.11860
F          0.00300       -1.68350        0.87610
F          0.36590       -1.69240       -1.77240
F          1.92550        0.53300       -1.53470
F          2.49430       -1.63800       -0.07780
F          1.50230        0.54250        1.14150
F         -0.25860        2.25180        1.62690
H          0.52410        1.72390        1.51480
28
TS6d (no solvent model)
C          5.76560       -0.03200       -0.74400
C          4.72860        0.83830       -0.05020
C          4.57880        0.57800        1.44040
F          0.59910       -0.59080       -1.79810
Sb         1.00750       -0.62790       -0.00310
F          0.50070       -2.38580        0.15280
F          1.50800       -0.56530        1.78040
F          2.85830       -1.12910       -0.43720
F          1.69070        1.13020       -0.16610
F         -0.72310        0.07930        0.48400
C          4.93610        2.33150       -0.34710
H          4.42530       -0.48250        1.66290
H          3.74570        1.14610        1.86610
H          5.50550        0.90080        1.92830
H          5.59720       -1.09830       -0.56150
H          5.79070        0.14530       -1.82370
H          6.74620        0.23090       -0.33210
H          3.66510        0.93280       -0.60180
H          3.69330        0.04340       -0.42580
H          4.99750        2.53360       -1.42070
H          4.14280        2.94470        0.09180
H          5.88930        2.61520        0.11290
Sb        -2.87730        0.31380       -0.00580
F         -2.56880       -1.26610       -0.92020
F         -2.19890        1.24900       -1.45330
F         -2.68170        1.83960        1.02290
F         -3.09260       -0.66530        1.54870
F         -4.65750        0.50600       -0.41790
22
TS6m (no solvent model)
C          2.95750        0.10670        0.12710
H          1.98280        0.10920       -0.58450
H          1.71800        0.52070        0.19040
F          0.37060        1.07290        0.54160
F         -1.58000        1.36650       -1.26130
F         -2.07660        0.03180        1.01030
F          0.54910       -0.17190       -1.66800
F          0.07010       -1.47390        0.48790
Sb        -0.89010       -0.11860       -0.39920
F         -1.89600       -1.32670       -1.36730
C          3.79270        1.30940       -0.27340
H          3.83670        1.42920       -1.36060
H          3.40410        2.23370        0.16750
H          4.81410        1.16090        0.09480
C          2.85110       -0.08000        1.64590
H          2.53660        0.83630        2.15480
H          2.15500       -0.88430        1.90130
H          3.85280       -0.34850        1.99940
C          3.39830       -1.20360       -0.53730
H          2.71970       -2.02280       -0.28120
H          3.44740       -1.11270       -1.62690
H          4.40000       -1.43900       -0.16040
19
TS5d (no solvent model)
Sb         1.70830       -0.67910        0.06660
F         -0.40930       -0.79120        0.95940
F          1.21530       -2.21830       -0.82940
F          3.52830       -0.80180       -0.62100
F          2.19420       -1.46260        1.68390
C          1.18080        1.92380        0.07950
H          0.54750        1.73980       -0.78550
H          0.73540        1.76880        1.05900
H          2.23410        2.18520       -0.03260
C          0.49580        3.91540        0.13130
O          0.00580        4.93150        0.14950
F          4.18830        1.64580       -0.45100
H          4.25030        0.71850       -0.60060
Sb        -2.02520       -0.20620       -0.04770
F         -0.70350        0.12550       -1.38970
F         -1.57990        1.51710        0.59190
F         -3.38830        0.47060       -1.09000
F         -3.03680       -0.51890        1.46230
F         -2.19860       -1.93830       -0.65750
13
TS5m (no solvent model)
Sb         0.86360       -0.22380       -0.03880
F          2.61670       -0.43100        0.55730
F          1.54620        0.07740       -1.82920
F          0.62580        1.67750        0.09320
F          0.27550       -0.27770        1.84030
C         -1.69240       -1.00270       -0.37280
H         -1.71180       -0.07450       -0.94440
H         -1.50370       -1.94070       -0.88040
H         -1.58520       -0.94810        0.71220
C         -3.55700       -0.96460       -0.26710
O         -4.38870       -0.25420        0.03270
F         -1.91250        1.85890        0.05960
H         -1.00120        2.06960        0.17620
19
TS4d (no solvent model)
Sb        -2.09310       -0.18290       -0.00000
H         -4.00730        0.59420        0.00040
F         -3.15590        1.54140        0.00080
F         -2.08250       -0.05950        1.84620
F         -1.46590       -1.90960       -0.00080
F         -0.43690        0.79640        0.00040
F         -2.08250       -0.05770       -1.84610
C         -4.26960       -0.73400       -0.00030
H         -5.20000       -0.12760        0.00020
H         -4.33240       -1.32670        0.91570
H         -4.33260       -1.32560       -0.91700
Sb         1.74270        0.31240       -0.00000
F          1.17220       -0.88460        1.28980
F          1.17230       -0.88380       -1.29050
F          1.83060        1.62210        1.29380
F          1.83040        1.62290       -1.29300
F          3.52840       -0.16740       -0.00020
H          5.12710       -1.05760       -0.00030
F          5.93810       -1.50470        0.00010
13
TS4m (no solvent model)
Sb         0.19200        0.64790       -0.05570
H          1.84730       -0.58420        0.06830
F          0.81330       -1.26920        0.26830
F          0.35140        0.90740        1.78060
F          0.08230        2.46170       -0.39380
F         -1.60250        0.23770        0.14420
F          0.10370        0.21260       -1.86320
C          2.45150        0.60400       -0.20100
H          3.20510       -0.20120       -0.09040
H          2.70680        1.33050        0.57370
H          2.58920        0.97780       -1.21800
F         -4.13900       -0.81740        0.33400
H         -3.28780       -0.45780        0.27210
19
TS3d (no solvent model)
Sb         1.33230        0.64410       -0.03970
H          2.98780        1.00900       -0.56330
C          4.34490       -0.01770       -0.30620
F          1.07620        2.36430        0.62140
F          0.61070        1.10940       -1.68450
F          1.63080       -1.12100       -0.64100
F         -0.41190        0.10820        0.62570
F          2.06820        0.12300        1.62170
H          4.14580        0.05370        0.76230
H          3.82240       -0.78290       -0.87860
H          4.90720        0.76170       -0.81300
Sb        -2.46980       -0.34420        0.01750
F         -2.87620        0.43600        1.64560
F         -2.13910       -1.93730        0.90240
F         -2.35940        1.34320       -0.73620
F         -1.62170       -1.04040       -1.47640
F         -4.19450       -0.72040       -0.50160
O          6.79920       -1.88910        0.15490
C          5.93970       -1.18360       -0.02890
13
TS3m (no solvent model)
Sb         0.73230        0.04310        0.04310
H         -0.71390        0.11580        1.08010
C         -2.35450        0.00420        0.48920
H         -2.11830        0.89860       -0.08840
H         -2.05010       -0.95810        0.07470
H         -2.63870        0.08610        1.53410
F         -0.17200       -1.40200       -0.82610
F         -0.23800        1.23000       -1.10040
F          1.49770       -1.16700        1.25720
F          1.43470        1.51250        0.97620
F          2.15400       -0.04590       -1.13100
C         -4.14510       -0.12600       -0.20990
O         -5.11040       -0.22400       -0.78460
21
gTS2d
C          1.36440        2.65000        1.49350
H          2.26370        2.06350        1.65850
H          0.55330        2.18530        2.90250
H          1.27960        3.63660        1.94390
H          0.60720        2.29700        0.79290
H          0.58170        1.49400        2.54320
F          1.23860       -0.17600        1.66410
F         -0.35200       -0.89860       -0.31490
F          1.43290       -2.61550        0.68410
F          1.60080        0.83710       -0.67760
F          3.46040       -0.79630        0.31910
Sb         1.64600       -0.92930       -0.02270
F          1.80540       -1.57340       -1.74000
C          2.38200        3.50350       -0.31950
O          2.83660        3.80630       -1.30760
Sb        -2.18070        0.09130       -0.07100
F         -1.83900        0.73200       -1.77100
F         -2.92420       -1.45560       -0.74230
F         -3.75650        1.01540        0.16680
F         -1.12090        1.51250        0.59040
F         -2.12250       -0.61610        1.63900
15
TS2m (no solvent model)
C         -2.73340        1.40010        0.33560
H         -2.41850        0.52920        0.91110
H         -2.24600        2.56840        1.43970
H         -2.09200        1.71740       -0.48450
H         -3.71480        1.84540        0.48170
H         -1.54530        2.22890        1.32560
F         -0.71730        0.49720       -1.47700
F          1.88720        0.62260       -0.88480
F          0.67040       -1.77470       -1.21480
F          0.00630        1.28580        0.89160
F         -1.16690       -1.00900        0.57450
Sb         0.43310       -0.26910       -0.15880
F          1.41750       -0.95410        1.25480
C         -3.47520       -0.11180       -1.12310
O         -3.67890       -0.94120       -1.86170
19
H/H exchange TS (dinuclear, no solvent model)
C          3.18040        2.94280       -0.03280
H          2.26540        3.42390       -0.38830
H          3.73240        2.69250       -0.94960
H          3.79070        3.52370        0.65300
H          2.58410        2.18040        0.61730
H          3.32580        1.71130        0.05600
F          3.51530        0.22030       -0.06920
F          2.09960       -1.64170        1.37170
F          2.01680       -1.78410       -1.26520
F          1.47750        0.91600        1.25350
F          1.34540        0.78200       -1.31620
Sb         1.69880       -0.48990       -0.00250
F         -0.18520       -0.90240        0.12920
Sb        -2.16100        0.11990       -0.00190
F         -2.15060       -0.16650        1.82460
F         -2.75710       -1.60920       -0.25410
F         -1.69950        0.20710       -1.79150
F         -1.12430        1.63670        0.28220
F         -3.78320        0.97320       -0.11710
13
H/H exchange TS (mononuclear, no solvent model)
Sb        -0.41460        0.00000       -0.01250
F         -1.50090        1.37810       -0.58170
F          0.57430        0.00100       -1.61010
F          0.95570        1.25940        0.58100
F         -1.10390       -0.00130        1.70280
F         -1.50040       -1.37770       -0.58350
F          0.95610       -1.25980        0.57940
H          2.31370       -0.51330        0.31000
C          3.35390       -0.00000       -0.03060
H          3.45440        0.86680       -0.69140
H          2.31410        0.51280        0.31100
H          3.45310       -0.86310       -0.69640
H          4.05910       -0.00250        0.79540
8
SbF6H (no solvent model)
Sb        -0.17570       -0.00010       -0.00340
F         -1.96780       -0.00750       -0.36580
F         -0.15270        0.01900        1.83740
F          0.08450       -1.82830        0.03880
F          0.53370       -0.01710       -1.72600
F          0.07740        1.82940        0.00100
F          2.13740        0.00530        0.29430
H          2.55080       -0.00490       -0.54280
13
[SbF6]-CH5]+ (no solvent model)
C         -3.78710       -0.19080        0.23490
H         -3.86680       -1.27460        0.33000
H         -3.15520        0.01380       -0.63870
H         -4.76610        0.26040        0.06730
H         -3.39450        0.18840        1.18830
H         -2.05220        0.89210        0.40750
F         -1.20790        1.32840        0.42050
F          1.19860        0.35470        1.33160
F          1.13190        1.51300       -0.98950
F         -0.68380       -1.24820        0.56140
F         -0.71320       -0.14720       -1.74800
Sb         0.44930       -0.05540       -0.30330
F          1.71040       -1.23820       -0.90440
7
[SbF6]- (no solvent model)
Sb         0.00000        0.00000        0.00000
F          0.00000        0.00000        1.88360
F          0.00000        1.88360        0.00000
F         -1.88360        0.00000        0.00000
F          0.00000        0.00000       -1.88360
F          0.00000       -1.88360        0.00000
F          1.88360        0.00000        0.00000
6
SbF5 (no solvent model)
Sb        -0.00000        0.00000        0.00000
F         -0.00040       -0.00010        1.84570
F          1.58810        0.91560        0.00000
F         -0.00040       -1.83320        0.00000
F         -1.58700        0.91770        0.00000
F         -0.00040       -0.00010       -1.84570
5
[SbF4]- (no solvent model)
F          0.00000        2.01780        0.06920
F          1.44050        0.00000       -0.95970
F         -1.44050        0.00000       -0.95970
F          0.00000       -2.01780        0.06920
Sb         0.00000        0.00000        0.31430
16
Sb2F11-H2F (no solvent model)
Sb        -1.98860       -0.20540       -0.01560
Sb         1.97870       -0.23080        0.04220
F         -3.73930       -0.08920       -0.53380
F         -1.57540       -1.84160       -0.74110
F         -1.25410        0.68910       -1.46430
F         -1.96270        1.51660        0.82080
F         -2.25710       -0.92390        1.65230
F          0.06640       -0.14380        0.61740
F          1.32620       -1.01130       -1.47720
F          1.43570        1.55920       -0.95630
F          2.24730       -1.76240        0.99920
F          2.21630        0.94060        1.43680
F          3.65620        0.03120       -0.64120
H          0.79450        2.20300       -0.52340
F         -0.09360        2.98360        0.14660
H         -0.88400        2.51330        0.43500
14
Sb2F11H (no solvent model)
Sb         1.84590        0.10100        0.01070
F          2.42190        0.81020        1.60660
F          3.99470       -0.65970       -0.19160
F          2.53430        1.55910       -0.86250
F          1.58040       -0.73050       -1.60400
F          0.07000        0.70020        0.23000
F          1.78390       -1.55320        0.83310
H          4.11330       -1.51600        0.16510
Sb        -2.13360       -0.02710       -0.00240
F         -2.03750       -0.02290        1.84200
F         -2.44520        1.78960        0.04980
F         -1.68900        0.14120       -1.78810
F         -1.19950       -1.62780        0.01430
F         -3.84060       -0.65680       -0.19490
19
[Sb2F11]-[CH5]+ (no solvent model)
C          5.44400        1.30000        0.02590
H          4.78840        2.10760        0.35390
H          5.13740        0.97540       -0.97770
H          6.47440        1.64890       -0.06070
H          5.44700        0.50860        0.78820
H          4.30200       -0.30420       -0.18150
F          3.61850       -0.96860       -0.25670
F          1.32940       -1.62430        1.13620
F          1.14220       -1.22600       -1.43130
F          2.38870        0.72280        1.39670
F          2.18990        1.12280       -1.11700
Sb         1.55410       -0.18750        0.02050
F         -0.13600        0.62480        0.29030
Sb        -2.37020        0.11100       -0.00440
F         -1.58860       -1.56850        0.01190
F         -4.12110       -0.35890       -0.25910
F         -1.86640        0.26140       -1.77760
F         -2.52680        1.94820        0.06410
F         -2.34070        0.08500        1.84220
13
[Sb2F11]- (no solvent model)
Sb         1.96690        0.00010        0.00230
Sb        -1.96680       -0.00020        0.00330
F          3.74880        0.00160       -0.52570
F          1.41010       -1.12150       -1.36770
F          2.16270       -1.47530        1.11900
F          2.25760        1.10970        1.46790
F          1.51800        1.48710       -1.01480
F          0.00230       -0.00440        0.60600
F         -1.75030       -1.82490       -0.27530
F         -1.31930        0.34280       -1.70010
F         -1.93660        1.82140        0.37720
F         -2.34190       -0.33720        1.79470
F         -3.75230        0.00100       -0.51280
17
Sb2F10-methane complex (no solvent model)
C          4.45240       -0.89830       -0.18550
H          5.50160       -1.02480       -0.47070
H          4.34660       -1.16320        0.86850
H          3.87020       -1.55990       -0.83390
Sb         1.80100        0.13110        0.02420
F          2.48650        1.75530       -0.51270
F          1.75370       -0.38210       -1.73870
F          0.03930        0.75580        0.25160
F          1.52930       -1.61300        0.52940
F          2.41270        0.49230        1.72150
H          4.27820        0.17520       -0.36730
Sb        -2.14550       -0.04740       -0.00800
F         -1.14430       -1.24590       -1.00640
F         -2.51070        1.39760        1.07710
F         -3.82220       -0.73850       -0.24540
F         -2.10300        1.10030       -1.45360
F         -1.65720       -1.00040        1.49860
12
Sb2F10 (no solvent model)
Sb         1.68730        0.00000       -0.00010
Sb        -1.68730        0.00010       -0.00000
F          1.46920        1.81960       -0.00020
F          2.80990       -0.00200       -1.44250
F          1.46190       -1.81870       -0.00020
F          2.80910       -0.00200        1.44300
F          0.00030        0.00240        1.19850
F         -0.00050        0.00290       -1.19850
F         -2.80900       -0.00160       -1.44320
F         -1.46900        1.81970        0.00080
F         -1.46250       -1.81870       -0.00000
F         -2.80930       -0.00220        1.44290
11
[Sb2F9]- (no solvent model)
Sb        -1.77230       -0.00280       -0.01720
Sb         2.05450        0.00680       -0.20570
F         -3.26030       -0.60330       -0.97480
F         -1.13670        0.94210       -1.51480
F         -2.66900        1.52480        0.57660
F         -2.30690       -0.93500        1.50960
F         -0.74220       -1.48260       -0.57790
F         -0.17920        0.57820        0.89860
F          2.63260        1.51760        0.79750
F          2.18590       -1.17240        1.27210
F          3.87670       -0.39190       -0.72370
11
HF-SbF4CH3 (no solvent model)
Sb        -0.19820        0.01200       -0.00010
C          0.04550        2.09370        0.00120
H          0.58940        2.36640       -0.90430
H         -0.95580        2.53190       -0.00060
H          0.58610        2.36580        0.90870
F         -1.99550       -0.41780       -0.00290
F         -0.05060       -0.09540        1.88470
F          0.58390       -1.69290        0.00030
F          2.30640        0.11850        0.00160
F         -0.04530       -0.09360       -1.88450
H          2.42750       -0.80790        0.00090
15
[HF-F10Sb2H]- (no solvent model)
Sb        -2.02250        0.05890        0.00140
Sb         1.92790       -0.65060       -0.00220
F         -3.72320        0.79240       -0.16060
F         -2.31200       -1.20740       -1.33600
F         -1.25450        1.19680       -1.24740
F         -1.51880        1.20250        1.37730
F         -2.54940       -1.20690        1.26460
F          1.65120       -0.53560       -1.86420
F          1.96000       -0.59640        1.88510
F          1.60600        1.20010        0.05840
F          3.78260       -0.41900       -0.15010
H          1.86210       -2.31580       -0.02010
F         -0.17730       -0.77800        0.18020
H          2.24210        2.79490        0.01190
F          2.61520        3.65120       -0.00200
14
HF-F9Sb2H (no solvent model)
Sb         1.88120        0.01750       -0.02360
F          2.39960        0.96640       -1.51170
F          3.53330       -0.31070        0.69740
F          0.95440       -0.89320        1.41410
F          1.53030        1.55550        0.93390
F         -0.08610        0.31820       -0.69770
F          1.75040       -1.55280       -0.97400
Sb        -2.08710        0.02980       -0.32300
H         -2.45510        0.15300       -1.93490
F         -3.70700       -0.28090        0.50640
F         -1.56770       -1.75110       -0.22890
F         -2.05280        1.81610        0.15860
H         -0.36210       -0.47810        1.72950
F         -1.27470       -0.09920        1.68890
17
HF-F9Sb2CH3 (no solvent model)
Sb        -1.99790       -0.12800       -0.00740
C         -3.82970        0.87860       -0.01460
H         -3.84920        1.52930       -0.89080
H         -4.62180        0.12820       -0.06600
H         -3.89590        1.45120        0.91260
F         -2.39490       -1.92160       -0.19590
F         -1.73860       -0.17110        1.83860
F         -0.01940       -0.63640        0.04760
F         -1.04600        1.87850        0.18810
F         -1.53080        0.15770       -1.79560
H         -0.10860        1.92360       -0.12850
Sb         1.98140       -0.04400        0.00950
F          2.38550       -1.73730        0.59830
F          1.91370       -0.56820       -1.75180
F          1.18950        1.63280       -0.57240
F          1.59240        0.55400        1.71270
F          3.68180        0.64140       -0.05260
9
[HF-F5SbH]- (no solvent model)
Sb        -0.37040       -0.00100       -0.15550
F         -0.26700       -1.90750       -0.06230
F         -2.22890       -0.08930       -0.57810
F          1.51180        0.08950        0.39670
F         -0.79790        0.00570        1.66940
F         -0.43590        1.90910       -0.11400
H          3.05130        0.02430        0.00030
F          3.96710       -0.00430       -0.23440
H          0.09690       -0.00150       -1.76550
2
HF (no solvent model)
F          0.00000        0.00000        0.09190
H          0.00000        0.00000       -0.82750
15
[H2-C4H9]+ (no solvent model)
C          0.00280        0.00000       -0.08990
H         -0.35910       -0.00060        2.58990
C          0.73800       -1.25960       -0.14520
H          1.76640       -1.18290        0.21690
H          0.19990       -2.09180        0.31860
H          0.80340       -1.51110       -1.22270
C          0.72070        1.26960       -0.14530
H          0.77550        1.52620       -1.22220
H          0.17360        2.09260        0.32450
H          1.75200        1.20620        0.21080
C         -1.45730       -0.01000       -0.14020
H         -1.89920       -0.91800        0.27980
H         -1.91200        0.89580        0.27070
H         -1.71300       -0.01790       -1.21830
H          0.38700        0.00090        2.57550
2
H2 (no solvent model)
H          0.00000        0.00000        0.37110
H          0.00000        0.00000       -0.37110
21
[HF][F10Sb2H]--SbF5 fluoride transfer TS (no solvent model)
Sb         3.63450       -0.19840        0.30030
Sb        -0.06440       -0.10580       -0.75120
H         -1.04410        0.13610       -2.06830
F          5.41690       -0.25210        0.79890
F          4.21730        0.07120       -1.44260
F          3.17530       -1.93220       -0.11140
F          3.21010       -0.47750        2.08400
F          3.12230        1.56340        0.41990
F          0.99510       -0.31280        0.79550
F          1.64740        0.06170       -1.55930
F         -0.12670        1.74490       -0.28750
F         -1.67300       -0.29390        0.53980
F         -0.10150       -1.97600       -0.87790
Sb        -3.70900       -0.11610        0.25780
F         -3.38380       -1.17110       -1.24740
F         -3.21790        1.36470       -0.76350
F         -3.86540       -1.64440        1.29480
F         -3.71330        0.92850        1.78770
F         -5.52310        0.05530       -0.06780
H          0.44740        3.35990       -0.07590
F          0.67360        4.26410       -0.03090
13
[F5SbH]-[SbF5] fluoride transfer TS (no solvent model)
Sb        -1.71450       -0.00010        0.05300
Sb         1.96730        0.00120       -0.18220
H          3.03990       -0.03400       -1.46470
F         -3.58280       -0.05960        0.16620
F         -2.03460        0.00380       -1.79220
F         -1.40000        1.82180        0.02870
F         -1.80680       -0.00430        1.92160
F         -1.29220       -1.79850        0.01340
F          0.48400        0.04850        1.06350
F          0.37120        0.04810       -1.30690
F          1.83780       -1.88700       -0.11890
F          3.18910       -0.03500        1.25150
F          1.96240        1.89520       -0.12420
13
[F10Sb2H]- (no solvent model)
Sb         1.89520        0.00350        0.00790
Sb        -2.09690       -0.00300       -0.19360
F          3.66660       -0.26460        0.51830
F          2.11770       -0.89030       -1.61640
F          1.30410       -1.57470        0.78910
F          1.46680        0.94790        1.54990
F          2.27620        1.60950       -0.86190
F         -1.70650       -1.85330       -0.14620
F         -2.25380        1.88800       -0.17730
F         -1.56020        0.09530        1.57640
F         -3.91320       -0.26070        0.21810
H         -2.20580       -0.02400       -1.85720
F         -0.00940        0.30320       -0.59140
7
[F5SbH]- (no solvent model)
Sb         0.00000        0.00000        0.17800
F          0.00000        1.91890        0.12240
F          0.00000        0.00000       -1.70510
F          0.00000       -1.91890        0.12240
F         -1.91890        0.00000        0.12240
F          1.91890        0.00000        0.12240
H          0.00000        0.00000        1.85980
6
[F4SbH]
Sb         0.00000        0.00000        0.19070
H          0.00000        0.00000        1.85940
F          0.00000        0.00000       -1.65580
F          0.00000        1.86540        0.12300
F          1.61550       -0.93270        0.12300
F         -1.61550       -0.93270        0.12300
2
CO (no solvent model)
C          0.00000        0.00000       -0.64970
O          0.00000        0.00000        0.48730
5
CH4 (no solvent model)
C          0.00000        0.00000        0.00000
H          0.63070        0.63070        0.63070
H         -0.63070       -0.63070        0.63070
H         -0.63070        0.63070       -0.63070
H          0.63070       -0.63070       -0.63070
6
[CH3CO]+ (no solvent model)
C          1.20860        0.00000       -0.00000
H          1.56260       -0.65770       -0.80760
H          1.56260       -0.37060        0.97330
H          1.56260        1.02820       -0.16570
C         -0.21140       -0.00000        0.00000
O         -1.33390        0.00000       -0.00000
14
C4H10 (no solvent model)
C          0.00000       -0.00000       -0.38190
H          0.00000       -0.00010       -1.48420
C         -0.17450        1.43610        0.09560
H         -1.12080        1.86690       -0.25490
H         -0.17920        1.47480        1.19480
H          0.64090        2.08110       -0.25500
C          1.33090       -0.56690        0.09560
H          1.36660       -0.58240        1.19480
H          1.48200       -1.59550       -0.25520
H          2.17720        0.03740       -0.25470
C         -1.15640       -0.86920        0.09560
H         -2.12270       -0.48530       -0.25480
H         -1.05660       -1.90410       -0.25510
H         -1.18740       -0.89270        1.19480
13
[C4H9]+ (no solvent model)
C         -0.00050       -0.00010       -0.00040
C          0.96960       -1.08620       -0.00220
H          0.53590       -2.08660       -0.04620
H          1.68100       -0.93120       -0.83010
H          1.60460       -0.98150        0.89430
C          0.45590        1.38260        0.00600
H          0.10410        1.84610       -0.93370
H         -0.07960        1.95150        0.78160
H          1.53640        1.50690        0.09610
C         -1.42600       -0.29630       -0.00400
H         -1.64750       -0.87780        0.90890
H         -2.07480        0.57990       -0.05310
H         -1.65390       -1.00700       -0.81400

