%nprocshared=12
%mem=20GB
#p freq=noraman oniom(wb97xd/genecp:uff) nosymm
geom=connectivity 6d cphf=(maxinv=12000,conver=7) opt=(ts,calcfc,maxstep=5)

asdasfh

0 2 0 2 0 2
 Ir-Ir6+3         0   -1.47424800   -0.44603200    2.07345900 H
 N-N_R            0   -2.27940100   -2.34940800    2.09192900 H
 C-C_R            0   -2.19655800   -2.93318100    3.27143400 H
 C-C_R            0   -1.76506500   -2.14190000    4.39796600 H
 C-C_R            0   -1.47370600   -0.80405500    4.03938200 H
 C-C_R            0   -1.11790200    0.05443100    5.09061100 H
 H-H_             0   -0.89278200    1.09823900    4.88923200 H
 C-C_R            0   -1.03055400   -0.40437600    6.40039400 H
 C-C_R            0   -1.30045400   -1.74042200    6.72003300 H
 H-H_             0   -1.22034400   -2.08701300    7.74588200 H
 C-C_R            0   -1.67498000   -2.61454900    5.71308000 H
 H-H_             0   -1.89416600   -3.65452800    5.94651100 H
 C-C_R            0   -4.49430000    0.07034600    1.97426500 H
 H-H_             0   -4.65993000   -1.00394900    1.95251900 H
 C-C_R            0   -5.58730600    0.92472400    1.87951200 H
 H-H_             0   -6.58656300    0.50614000    1.78634600 H
 C-C_R            0   -5.42509700    2.31623000    1.90370600 H
 H-H_             0   -6.28825700    2.97097800    1.83167400 H
 C-C_R            0   -4.15182600    2.84873700    2.02646300 H
 H-H_             0   -4.01004300    3.92748400    2.05137000 H
 C-C_R            0   -3.05524900    1.98175300    2.11791700 H
 C-C_R            0   -1.67891400    2.39714300    2.27050200 H
 H-H_             0   -0.74371300    0.28587900    7.19000300 H
 S-S_R            0   -2.70756800   -4.59445600    3.29359200 H
 C-C_R            0   -2.80862900   -3.19376200    1.12218500 H
 C-C_R            0   -3.09833100   -2.85016500   -0.19683300 H
 C-C_R            0   -3.09604900   -4.47747600    1.59535400 H
 C-C_R            0   -3.66339200   -3.78341600   -1.07411400 H
 H-H_             0   -2.87549100   -1.83110500   -0.48842100 H
 C-C_R            0   -3.64496200   -5.43129100    0.74696800 H
 C-C_R            0   -3.91903200   -5.08254000   -0.56894000 H
 H-H_             0   -3.86656100   -6.43306900    1.10139100 H
 H-H_             0   -4.34852500   -5.87357700   -1.17381500 H
 C-C_R            0   -3.18525900    0.56740800    2.09023700 H
 N-N_R            0   -0.76293900    1.45059800    2.29906900 H
 S-S_R            0   -1.05713200    3.99870100    2.53959700 H
 C-C_R            0    0.50295600    1.93281800    2.61299700 H
 C-C_R            0    1.63079700    1.14708500    2.84645600 H
 C-C_R            0    0.53809800    3.31943300    2.77830000 H
 C-C_R            0    2.82085400    1.74435100    3.27774500 H
 H-H_             0    1.51184900    0.07654200    2.69590400 H
 C-C_R            0    1.72251000    3.94458600    3.15027300 H
 C-C_R            0    2.83993000    3.15801500    3.39988300 H
 H-H_             0    1.77670100    5.02146200    3.27481900 H
 H-H_             0    3.72316500    3.70779900    3.70670200 H
 C-C_R            0   -1.68826200    0.63480500   -0.88949100 H
 C-C_R            0   -0.12306600   -1.05140800   -0.50804700 H
 C-C_R            0   -1.32003600    0.74920300   -2.21950400 H
 H-H_             0   -2.47748500    1.24482500   -0.46030900 H
 C-C_R            0    0.28819500   -0.99233900   -1.84243400 H
 C-C_R            0   -0.30937700   -0.08296000   -2.70134400 H
 H-H_             0   -1.81533200    1.47225300   -2.85813000 H
 H-H_             0    1.07835300   -1.64632800   -2.19084600 H
 H-H_             0    0.00837400   -0.02125700   -3.73794000 H
 C-C_R            0    0.44035900   -1.95964900    0.52741200 H
 O-O_R            0    0.37733300   -1.51781100    1.76156100 H
 C-C_R            0    0.90268800   -3.19802900    0.18401400 H
 H-H_             0    0.79161500   -3.52495700   -0.84471500 H
 C-C_3            0    1.20823100   -4.22326600    1.23318000 H
 H-H_             0    0.27655600   -4.63327800    1.65133600 H
 H-H_             0    1.78537000   -5.05846800    0.82490200 H
 H-H_             0    1.76486900   -3.78415400    2.06641700 H
 N-N_R            0   -1.10510500   -0.23997600   -0.05778800 H
 C-C_3            0    3.39685300   -2.79900300   -0.70060600 H
 Cl-Cl            0    3.68072100   -1.08958100   -0.87513400 H
 Cl-Cl            0    4.40333100   -3.57460400    0.48235500 H
 Cl-Cl            0    3.31166200   -3.65459200   -2.22661100 H
 C-C_3            0    4.02358100    0.85182700    3.63448400 L H-H_ 40   0.0000
 C-C_3            0    3.62250200   -0.14361000    4.76600200 L
 C-C_3            0    5.25665500    1.67063300    4.13470100 L
 C-C_3            0    4.46577400    0.03824500    2.38356100 L
 H-H_             0    3.31659200    0.41812900    5.67662600 L
 H-H_             0    2.75449400   -0.76772100    4.46214800 L
 C-C_3            0    4.80209200   -1.08120800    5.10549500 L
 H-H_             0    4.98847900    2.25822400    5.04095000 L
 H-H_             0    5.59105700    2.38427900    3.34903700 L
 C-C_3            0    6.43283700    0.73375600    4.48222600 L
 H-H_             0    3.62697600   -0.58197600    2.00194700 L
 H-H_             0    4.76605900    0.72941500    1.56491000 L
 C-C_3            0    5.64417400   -0.89661600    2.73416600 L
 H-H_             0    4.49436300   -1.78861100    5.90607900 L
 C-C_3            0    6.00117000   -0.24376900    5.59462200 L
 C-C_3            0    5.20750800   -1.87619900    3.84507000 L
 H-H_             0    7.29654100    1.33807600    4.83571200 L
 C-C_3            0    6.84238100   -0.05983000    3.22544000 L
 H-H_             0    5.94576300   -1.46806200    1.83064700 L
 H-H_             0    6.84825700   -0.91288600    5.86258600 L
 H-H_             0    5.72216800    0.32139000    6.51108500 L
 H-H_             0    4.35135500   -2.49338800    3.49373700 L
 H-H_             0    6.04062000   -2.57234400    4.08630000 L
 H-H_             0    7.17272600    0.63799100    2.42474200 L
 H-H_             0    7.70136400   -0.72645300    3.45967700 L
 C-C_3            0   -3.96898800   -3.36750900   -2.52437900 L H-H_ 28   0.0000
 C-C_3            0   -4.95240000   -2.15738300   -2.53207600 L
 C-C_3            0   -4.61628100   -4.51474200   -3.36380900 L
 C-C_3            0   -2.64787700   -2.95032900   -3.23259400 L
 H-H_             0   -5.91087900   -2.44289100   -2.04427100 L
 H-H_             0   -4.53925200   -1.29883200   -1.96037200 L
 C-C_3            0   -5.22414200   -1.69048500   -3.97868400 L
 H-H_             0   -5.57442700   -4.83917000   -2.90007500 L
 H-H_             0   -3.93794100   -5.39605400   -3.40240500 L
 C-C_3            0   -4.89483900   -4.04509600   -4.80841300 L
 H-H_             0   -2.15633600   -2.12653500   -2.68088700 L
 H-H_             0   -1.93480100   -3.80447900   -3.24940500 L
 C-C_3            0   -2.92915100   -2.47658800   -4.67465900 L
 H-H_             0   -5.91916400   -0.82287400   -3.96344000 L
 C-C_3            0   -5.86104800   -2.84319100   -4.78117200 L
 C-C_3            0   -3.89408900   -1.27164900   -4.64216500 L
 H-H_             0   -5.35478700   -4.87611300   -5.38628200 L
 C-C_3            0   -3.56890000   -3.62738300   -5.47768600 L
 H-H_             0   -1.97444700   -2.17334100   -5.15713100 L
 H-H_             0   -6.08058400   -2.50817600   -5.81880300 L
 H-H_             0   -6.82709000   -3.14149900   -4.31764100 L
 H-H_             0   -3.43498000   -0.43158600   -4.07648100 L
 H-H_             0   -4.08344600   -0.90938200   -5.67647900 L
 H-H_             0   -2.87358300   -4.49452700   -5.51971200 L
 H-H_             0   -3.75694600   -3.30205100   -6.52451100 L

 1 2 1.0 5 1.0 34 1.0 35 1.0
 2 3 2.0 25 1.0
 3 4 1.5 24 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 36 1.0
 23
 24 27 1.0
 25 26 1.5 27 1.5
 26 28 1.5 29 1.0
 27 30 1.5
 28 31 1.5 93 1.0
 29
 30 31 1.5 32 1.0
 31 33 1.0
 32
 33
 34
 35 37 1.0
 36 39 1.0
 37 38 1.5 39 1.5
 38 40 1.5 41 1.0
 39 42 1.5
 40 43 1.5 68 1.0
 41
 42 43 1.5 44 1.0
 43 45 1.0
 44
 45
 46 48 2.0 49 1.0 63 1.5
 47 50 1.5 55 1.0 63 1.5
 48 51 1.5 52 1.0
 49
 50 51 1.5 53 1.0
 51 54 1.0
 52
 53
 54
 55 56 1.5 57 2.0
 56
 57 58 1.0 59 1.0
 58
 59 60 1.0 61 1.0 62 1.0
 60
 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 72 1.0 73 1.0 74 1.0
 70 75 1.0 76 1.0 77 1.0
 71 78 1.0 79 1.0 80 1.0
 72
 73
 74 81 1.0 82 1.0 83 1.0
 75
 76
 77 82 1.0 84 1.0 85 1.0
 78
 79
 80 83 1.0 85 1.0 86 1.0
 81
 82 87 1.0 88 1.0
 83 89 1.0 90 1.0
 84
 85 91 1.0 92 1.0
 86
 87
 88
 89
 90
 91
 92
 93 94 1.0 95 1.0 96 1.0
 94 97 1.0 98 1.0 99 1.0
 95 100 1.0 101 1.0 102 1.0
 96 103 1.0 104 1.0 105 1.0
 97
 98
 99 106 1.0 107 1.0 108 1.0
 100
 101
 102 107 1.0 109 1.0 110 1.0
 103
 104
 105 108 1.0 110 1.0 111 1.0
 106
 107 112 1.0 113 1.0
 108 114 1.0 115 1.0
 109
 110 116 1.0 117 1.0
 111
 112
 113
 114
 115
 116
 117

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

-Ir 0
lanl2dz






