    61
 geometry
 C                     3.13056589    -3.29164007    -1.33898211
 C                     2.84342989    -2.20202758    -2.19725919
 C                     1.92757099    -1.21025822    -1.86734572
 C                     1.24113652    -1.26738801    -0.66492324
 C                     1.52018997    -2.37608866     0.28023597
 C                     2.48356164    -3.36166459    -0.14655570
 C                     0.84078291    -2.35613182     1.49832085
 N                    -0.06076493    -1.24648229     1.63740472
 C                    -0.72847429    -1.10281084     2.78320783
 C                    -0.62199280    -1.98142078     3.85334018
 C                     0.25260080    -3.10358645     3.74642897
 C                     0.96479107    -3.27578137     2.59456472
 C                     3.10664662     3.31080037     1.36458230
 C                     2.82611350     2.24146942     2.20382992
 C                     1.91892540     1.24533500     1.87294824
 C                     1.25147531     1.30189731     0.65009007
 C                     1.52120565     2.37579318    -0.24594305
 C                     2.44468448     3.35209706     0.15299804
 C                     0.81219403     2.34744685    -1.52264882
 N                    -0.03865690     1.28506101    -1.65889168
 C                    -0.72526400     1.11068788    -2.80175067
 C                    -0.62498150     1.97846945    -3.87367678
 C                     0.22554368     3.07666564    -3.75203311
 C                     0.94301067     3.26133165    -2.58073215
 N                    -1.95836306     1.15263691     0.66925021
 N                    -2.10514361     2.29885713     1.27186741
 N                    -3.41843938     2.52449514     1.34929752
 C                    -4.13179693     1.51458297     0.79209733
 C                    -3.18120573     0.62142438     0.34883505
 C                    -3.18279186    -0.64902115    -0.34585171
 C                    -4.13367055    -1.54080766    -0.79117405
 N                    -3.41971742    -2.54379584    -1.36192861
 N                    -2.10618516    -2.31283403    -1.28808777
 N                    -1.96035630    -1.17314620    -0.67706111
 C                    -3.90626755     3.74008593     2.00162155
 C                    -3.90673953    -3.76688044    -1.99914521
 Ir                   -0.15137697     0.00513572    -0.00117541
 H                     3.85220381    -4.04628766    -1.62621204
 H                     1.77003366    -0.40477425    -2.57355924
 H                    -1.37065433    -0.23265800     2.84875778
 H                    -1.19598474    -1.79312876     4.75183483
 H                     0.35770408    -3.79945250     4.57002913
 H                     1.64584583    -4.10709251     2.49216982
 H                     3.81674048     4.07928204     1.64034305
 H                     1.75573008     0.44092482     2.57857813
 H                    -1.35493855     0.23163647    -2.84230990
 H                    -1.19117533     1.79044468    -4.77759500
 H                     0.33607993     3.78023378    -4.56984685
 H                     1.61279243     4.10051516    -2.47839161
 H                    -5.20837483     1.51825346     0.75238955
 H                    -5.21029420    -1.54807054    -0.74902223
 H                    -4.97676247     3.82382358     1.82745805
 H                    -3.39465540     4.60065233     1.57501682
 H                    -3.70860765     3.68794982     3.07173856
 H                    -3.03509701    -4.32787798    -2.32612065
 H                    -4.52899326    -3.51785310    -2.85851253
 H                    -4.47668863    -4.35739957    -1.28235063
 F                     3.48983668    -2.14967346    -3.37163634
 F                     2.76135483    -4.40059402     0.67259938
 F                     3.46204535     2.17449093     3.38504361
 F                     2.72277776     4.39708464    -0.65983813
