%nprocshared=8
%mem=23GB
#p opt=maxstep=15 oniom(wb97xd/genecp:uff) nosymm geom=connectivity 6d
cphf=(maxinv=12000,conver=7)

asdasfh

0 1 0 1 0 1
 Ir-Ir6+3         0   -1.16763115   -0.68011119    1.82986616 H
 N-N_R            0   -2.17376705   -2.43337790    2.22866301 H
 C-C_R            0   -2.56390252   -2.55590961    3.48206720 H
 C-C_R            0   -2.25058027   -1.48566705    4.39867109 H
 C-C_R            0   -1.57866668   -0.40962321    3.76260860 H
 C-C_R            0   -1.25466695    0.68136972    4.58897168 H
 H-H_             0   -0.74919363    1.54591914    4.16710729 H
 C-C_R            0   -1.56482220    0.68471593    5.94401986 H
 C-C_R            0   -2.22114167   -0.39918892    6.54208889 H
 H-H_             0   -2.45749371   -0.38276408    7.60167329 H
 C-C_R            0   -2.56880514   -1.49003733    5.76343975 H
 H-H_             0   -3.08302492   -2.33827736    6.21156025 H
 C-C_R            0   -4.12108749   -0.16456718    1.14908183 H
 H-H_             0   -4.37082238   -1.15892420    1.51032945 H
 C-C_R            0   -5.12473702    0.61481516    0.58332254 H
 H-H_             0   -6.13642219    0.22145720    0.51925288 H
 C-C_R            0   -4.85554180    1.89772248    0.09206741 H
 H-H_             0   -5.64770701    2.49402790   -0.35041529 H
 C-C_R            0   -3.56771109    2.40105289    0.18283878 H
 H-H_             0   -3.34534357    3.39940772   -0.18864272 H
 C-C_R            0   -2.56531493    1.61150683    0.75813357 H
 C-C_R            0   -1.20628718    2.04380599    0.98593848 H
 H-H_             0   -1.29605888    1.54565289    6.55134456 H
 C-C_R            0   -2.47882488   -3.41127234    1.28515893 H
 C-C_R            0   -2.05685555   -3.23623902   -0.03209175 H
 C-C_R            0   -3.20588913   -4.54529957    1.65965023 H
 C-C_R            0   -2.35529899   -4.20221591   -1.00192603 H
 H-H_             0   -1.50784074   -2.32191798   -0.24164776 H
 C-C_R            0   -3.52131072   -5.51732375    0.71796224 H
 C-C_R            0   -3.09738156   -5.33909151   -0.59246918 H
 H-H_             0   -4.09024002   -6.40041229    0.99138170 H
 H-H_             0   -3.37600091   -6.13394037   -1.27619511 H
 C-C_3            0   -1.85098858   -4.00138633   -2.44338310 L H-H_ 27   0.0000
 C-C_R            0   -2.80348144    0.30447061    1.24618997 H
 N-N_R            0   -0.37264003    1.19773664    1.55729737 H
 C-C_R            0    0.88549831    1.62785317    1.97097080 H
 C-C_R            0    1.70659279    0.75929791    2.69090386 H
 C-C_R            0    1.28206202    2.94628903    1.72843337 H
 C-C_R            0    2.94713524    1.19399084    3.17117516 H
 H-H_             0    1.30703257   -0.23280776    2.84971062 H
 C-C_R            0    2.51985611    3.40000125    2.16671659 H
 C-C_R            0    3.32816692    2.52788889    2.88046827 H
 H-H_             0    2.84428456    4.41809773    1.97681425 H
 H-H_             0    4.27688381    2.92682661    3.22647789 H
 C-C_3            0    3.88017012    0.30107680    4.01229775 L H-H_ 39   0.0000
 C-C_R            0    1.14299523   -2.33077361    3.15466105 H
 C-C_R            0    1.24988527   -2.14272585    0.82710005 H
 C-C_R            0    2.26397399   -3.13746477    3.20289055 H
 H-H_             0    0.60386889   -2.04623278    4.05365105 H
 C-C_R            0    2.40098827   -2.94139615    0.81590644 H
 C-C_R            0    2.91070166   -3.43702327    2.00213405 H
 H-H_             0    2.62248089   -3.51288284    4.15495666 H
 H-H_             0    2.87937289   -3.18184140   -0.12527823 H
 H-H_             0    3.79902953   -4.06159527    1.99507516 H
 C-C_R            0    0.55935855   -1.62555588   -0.38821903 H
 O-O_R            0   -0.61112780   -1.07138864   -0.19389253 H
 N-N_R            0    0.65759713   -1.83670459    2.00386784 H
 C-C_3            0    1.10583831   -1.75401157   -1.63610132 H
 H-H_             0    2.04321516   -2.28380801   -1.76684895 H
 C-C_3            0    0.35455466   -1.34642639   -2.86685139 H
 H-H_             0   -0.40203791   -0.59661663   -2.62071666 H
 H-H_             0    1.02501737   -0.93900458   -3.63113226 H
 H-H_             0   -0.16264681   -2.20099721   -3.32469548 H
 C-C_3            0    5.26542495    0.20146911    3.33560206 L
 H-H_             0    5.76775882    1.18916587    3.27882672 L
 H-H_             0    5.93533822   -0.47578495    3.90862865 L
 H-H_             0    5.16632474   -0.20047798    2.30529640 L
 C-C_3            0    4.04092821    0.91594959    5.41824640 L
 H-H_             0    4.68281896    0.27286436    6.05877143 L
 H-H_             0    4.51308346    1.91976664    5.36967212 L
 H-H_             0    3.04939381    1.02054139    5.90990783 L
 C-C_3            0    3.33899738   -1.13808732    4.18102096 L
 H-H_             0    2.36192118   -1.13737311    4.71096533 L
 H-H_             0    3.22079935   -1.62709013    3.19037449 L
 H-H_             0    4.04122875   -1.75738262    4.78028028 L
 C-C_3            0   -0.30799883   -4.00126601   -2.44387448 L
 H-H_             0    0.09654369   -3.20396302   -1.78922850 L
 H-H_             0    0.07895575   -4.97487839   -2.07261996 L
 H-H_             0    0.08690060   -3.83461617   -3.46950605 L
 C-C_3            0   -2.37007487   -2.65476357   -2.99572851 L
 H-H_             0   -3.48056213   -2.62507149   -2.95883228 L
 H-H_             0   -1.98038118   -1.79368454   -2.41504692 L
 H-H_             0   -2.05132739   -2.51187778   -4.05105067 L
 C-C_3            0   -2.32356209   -5.11546586   -3.40740284 L
 H-H_             0   -3.43360052   -5.15739301   -3.44775054 L
 H-H_             0   -1.95535924   -4.92538502   -4.43915178 L
 H-H_             0   -1.93090575   -6.10673899   -3.09353664 L
 C-C_R            0    0.34115764    3.90147613    0.97086056 H
 C-C_R            0   -0.74417118    3.45358167    0.57292355 H
 H-H_             0    0.61610480    4.82002333    0.80125280 H
 H-H_             0   -1.37293077    4.06632168    0.15185021 H
 C-C_3            0   -3.26178052   -3.69102472    3.91157852 H
 C-C_3            0   -3.61772426   -4.70214544    2.98848100 H
 H-H_             0   -4.18243158   -5.55760498    3.29539243 H
 H-H_             0   -3.52719486   -3.79427491    4.94298272 H

 1 2 1.0 5 1.0 34 1.0 35 1.0 56 1.0 57 1.0
 2 3 2.0 24 1.0
 3 4 1.5 92 1.0
 4 5 1.5 11 1.5
 5 6 1.5
 6 7 1.0 8 1.5
 7
 8 9 1.5 23 1.0
 9 10 1.0 11 2.0
 10
 11 12 1.0
 12
 13 14 1.0 15 1.5 34 1.5
 14
 15 16 1.0 17 1.5
 16
 17 18 1.0 19 2.0
 18
 19 20 1.0 21 1.5
 20
 21 22 1.5 34 1.5
 22 35 2.0 89 1.0
 23
 24 25 1.5 26 1.5
 25 27 1.5 28 1.0
 26 29 1.5 93 1.0
 27 30 1.5 33 1.0
 28
 29 30 1.5 31 1.0
 30 32 1.0
 31
 32
 33 76 1.0 80 1.0 84 1.0
 34
 35 36 1.0
 36 37 1.5 38 1.5
 37 39 1.5 40 1.0
 38 41 1.5 88 1.0
 39 42 1.5 45 1.0
 40
 41 42 1.5 43 1.0
 42 44 1.0
 43
 44
 45 64 1.0 68 1.0 72 1.0
 46 48 2.0 49 1.0 57 1.5
 47 50 1.5 55 1.0 57 1.5
 48 51 1.5 52 1.0
 49
 50 51 2.0 53 1.0
 51 54 1.0
 52
 53
 54
 55 56 1.5 58 2.0
 56
 57
 58 59 1.0 60 1.0
 59
 60 61 1.0 62 1.0 63 1.0
 61
 62
 63
 64 65 1.0 66 1.0 67 1.0
 65
 66
 67
 68 69 1.0 70 1.0 71 1.0
 69
 70
 71
 72 73 1.0 74 1.0 75 1.0
 73
 74
 75
 76 77 1.0 78 1.0 79 1.0
 77
 78
 79
 80 81 1.0 82 1.0 83 1.0
 81
 82
 83
 84 85 1.0 86 1.0 87 1.0
 85
 86
 87
 88 89 1.0 90 1.5
 89 91 1.5
 90
 91
 92 93 1.0 95 1.0
 93 94 1.0
 94
 95

-Ir 0
lanl2dz
F 1 1.0
0.9380000              1.0000000
 ****
 C H N O 
6-31+g(d)
******

-Ir 0
lanl2dz
























