%nprocshared=12
%mem=23GB
#p freq=noraman oniom(wb97xd/genecp:uff) nosymm geom=connectivity 6d
cphf=(maxinv=12000,conver=7)

asdasfh

0 2 0 2 0 2
 Ir-Ir6+3         0   -1.59345100   -0.39701800    2.11427600 H
 N-N_R            0   -2.39054000   -2.31658100    2.10240600 H
 C-C_R            0   -2.22709100   -2.92353000    3.26196000 H
 C-C_R            0   -1.86464000   -2.12597600    4.40944800 H
 C-C_R            0   -1.62124800   -0.77283700    4.07520100 H
 C-C_R            0   -1.31949200    0.08664200    5.14122800 H
 H-H_             0   -1.13250600    1.14068800    4.95302200 H
 C-C_R            0   -1.23976900   -0.38548700    6.44708700 H
 C-C_R            0   -1.46004000   -1.73571200    6.74398100 H
 H-H_             0   -1.38585100   -2.09219100    7.76686800 H
 C-C_R            0   -1.77699900   -2.61244500    5.71917500 H
 H-H_             0   -1.95852000   -3.66321700    5.93573700 H
 C-C_R            0   -4.58875100    0.23815300    2.06688100 H
 H-H_             0   -4.79228400   -0.82940600    2.03517800 H
 C-C_R            0   -5.64896200    1.13618900    2.01056800 H
 H-H_             0   -6.66597600    0.75900300    1.93407700 H
 C-C_R            0   -5.43145000    2.51977800    2.05371500 H
 H-H_             0   -6.26942700    3.20891600    2.01216100 H
 C-C_R            0   -4.13601700    3.00081300    2.15634300 H
 H-H_             0   -3.95225000    4.07268700    2.19633600 H
 C-C_R            0   -3.07246600    2.09091400    2.21048100 H
 C-C_R            0   -1.67649100    2.44778100    2.33314100 H
 H-H_             0   -0.99751000    0.30493000    7.25134300 H
 S-S_R            0   -2.46418700   -4.64342400    3.21763200 H
 C-C_R            0   -2.76200800   -3.19860200    1.09278800 H
 C-C_R            0   -3.07554600   -2.85098700   -0.22250700 H
 C-C_R            0   -2.82230100   -4.53069100    1.51340200 H
 C-C_R            0   -3.39625400   -3.84380900   -1.15498300 H
 H-H_             0   -3.04769600   -1.79104500   -0.44414600 H
 C-C_R            0   -3.12559700   -5.54022700    0.60872100 H
 C-C_R            0   -3.38976700   -5.18938400   -0.70636800 H
 H-H_             0   -3.15069000   -6.58134800    0.91448200 H
 H-H_             0   -3.60539700   -6.00670500   -1.38788600 H
 C-C_R            0   -3.25995500    0.68276200    2.16297600 H
 N-N_R            0   -0.80682500    1.45881000    2.34639700 H
 S-S_R            0   -0.96495400    4.01958200    2.54554600 H
 C-C_R            0    0.49560000    1.88053500    2.59165000 H
 C-C_R            0    1.59321500    1.03677200    2.76868800 H
 C-C_R            0    0.60797900    3.26776700    2.71305700 H
 C-C_R            0    2.84277000    1.58685200    3.07005600 H
 H-H_             0    1.39049400   -0.02377600    2.65415700 H
 C-C_R            0    1.84776100    3.84322500    2.97015700 H
 C-C_R            0    2.93849000    3.00148700    3.14031300 H
 H-H_             0    1.96665500    4.91870500    3.05401400 H
 H-H_             0    3.88873200    3.48601800    3.34490800 H
 C-C_3            0    4.08803800    0.72028900    3.33807000 L H-H_ 40
 C-C_R            0   -1.72092600    0.71827400   -0.83106900 H
 C-C_R            0   -0.24156500   -1.04676600   -0.46632600 H
 C-C_R            0   -1.33953100    0.83394800   -2.15735900 H
 H-H_             0   -2.47883700    1.36261100   -0.39564700 H
 C-C_R            0    0.16598600   -1.00082200   -1.80154600 H
 C-C_R            0   -0.37867400   -0.04912600   -2.64942800 H
 H-H_             0   -1.79074600    1.59305100   -2.78668200 H
 H-H_             0    0.92314700   -1.68821300   -2.15931700 H
 H-H_             0   -0.05430600    0.00844400   -3.68411700 H
 C-C_R            0    0.29290100   -1.98352200    0.57098600 H
 O-O_R            0    0.21110900   -1.53844800    1.79108900 H
 C-C_R            0    0.75727000   -3.22123200    0.17760500 H
 H-H_             0    0.59805300   -3.46524900   -0.86812100 H
 N-N_R            0   -1.18586900   -0.19561800   -0.00968400 H
 C-C_3            0    3.16353500   -2.86756200   -0.48251800 H
 Cl-Cl            0    3.41583700   -1.13774700   -0.60659100 H
 Cl-Cl            0    4.21968600   -3.62521900    0.68783900 H
 Cl-Cl            0    3.20060100   -3.66995700   -2.05021800 H
 C-C_3            0    4.64713100    1.03642000    4.74272200 L
 H-H_             0    5.51506600    0.38270600    4.97783100 L
 H-H_             0    4.99579100    2.08740100    4.81810900 L
 H-H_             0    3.86566400    0.87100300    5.51581800 L
 C-C_3            0    3.78505700   -0.79750900    3.28895400 L
 H-H_             0    3.02766000   -1.07433100    4.05423700 L
 H-H_             0    3.41088200   -1.09581200    2.28837100 L
 H-H_             0    4.70263100   -1.39152500    3.49144600 L
 C-C_3            0    5.16421300    1.02764200    2.27631500 L
 H-H_             0    5.50071600    2.08407800    2.33433900 L
 H-H_             0    6.05725600    0.38180100    2.42156200 L
 H-H_             0    4.76374300    0.84662100    1.25611500 L
 C-C_3            0   -2.67799000   -4.19323700   -3.53947800 L
 H-H_             0   -2.68540200   -5.29879500   -3.43843600 L
 H-H_             0   -2.87541600   -3.95250700   -4.60662500 L
 H-H_             0   -1.66075900   -3.82629300   -3.28017600 L
 C-C_3            0   -3.74791100   -2.01989600   -2.93275000 L
 H-H_             0   -4.49554000   -1.49355600   -2.30065800 L
 H-H_             0   -2.74649800   -1.57857800   -2.75846100 L
 H-H_             0   -4.01241000   -1.83332800   -3.99628100 L
 C-C_3            0   -5.13276800   -4.09337000   -2.96745200 L
 H-H_             0   -5.41646400   -3.83486100   -4.01078200 L
 H-H_             0   -5.16539200   -5.19934100   -2.88177900 L
 H-H_             0   -5.89651800   -3.66656000   -2.28177200 L
 C-C_3            0   -3.73372100   -3.53540700   -2.62591700 L H-H_ 28
 C-C_R            0    0.89816800   -4.35896900    1.12046500 L H-H_ 58
 C-C_R            0    0.54686200   -5.64780100    0.68603600 L
 C-C_R            0    1.35774000   -4.18419400    2.44042400 L
 C-C_R            0    0.62309000   -6.73508000    1.56109900 L
 H-H_             0    0.19051100   -5.80884800   -0.32423800 L
 C-C_R            0    1.43471300   -5.27522200    3.31071900 L
 H-H_             0    1.67989400   -3.21591400    2.79709000 L
 C-C_R            0    1.06284600   -6.54839900    2.87347700 L
 H-H_             0    0.33669700   -7.72223900    1.22234300 L
 H-H_             0    1.78671900   -5.13354000    4.32433800 L
 H-H_             0    1.12053800   -7.39118700    3.54997400 L

 1 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 89 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 46 1.0
 41
 42 43 1.5 44 1.0
 43 45 1.0
 44
 45
 46 65 1.0 69 1.0 73 1.0
 47 49 2.0 50 1.0 60 1.5
 48 51 1.5 56 1.0 60 1.5
 49 52 1.5 53 1.0
 50
 51 52 1.5 54 1.0
 52 55 1.0
 53
 54
 55
 56 57 1.5 58 2.0
 57
 58 59 1.0 90 1.0
 59
 60
 61 62 1.0 63 1.0 64 1.0
 62
 63
 64
 65 66 1.0 67 1.0 68 1.0
 66
 67
 68
 69 70 1.0 71 1.0 72 1.0
 70
 71
 72
 73 74 1.0 75 1.0 76 1.0
 74
 75
 76
 77 78 1.0 79 1.0 80 1.0 89 1.0
 78
 79
 80
 81 82 1.0 83 1.0 84 1.0 89 1.0
 82
 83
 84
 85 86 1.0 87 1.0 88 1.0 89 1.0
 86
 87
 88
 89
 90 91 1.5 92 1.5
 91 93 1.5 94 1.0
 92 95 1.5 96 1.0
 93 97 1.5 98 1.0
 94
 95 97 1.5 99 1.0
 96
 97 100 1.0
 98
 99
 100

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

-Ir 0
lanl2dz
























