ATOMS
1 O      -2.199555000000       0.424701000000       2.620731000000     R=1.72
2 C      -2.424471000000      -0.787491000000       3.150547000000     R=2.00
3 C      -2.770665000000      -0.894725000000       4.516224000000     R=2.00
4 C      -3.039761000000      -2.161863000000       5.034711000000     R=2.00
5 C      -2.983644000000      -3.325453000000       4.250695000000     R=2.00
6 C      -2.637811000000      -3.187956000000       2.904300000000     R=2.00
7 C      -2.349008000000      -1.937596000000       2.344167000000     R=2.00
8 H      -2.530749000000      -1.955757000000      -1.723404000000     R=1.30
9 H      -3.309227000000      -2.245041000000       6.091317000000     R=1.30
10 H      -2.585654000000      -4.074604000000       2.267036000000     R=1.30
11 H      -4.308992000000      -0.915522000000       1.230901000000     R=1.30
12 Zr      -2.048817000000       1.476611000000       0.913790000000     R=2.117
13 H      -1.001204000000      -1.196373000000      -1.247216000000     R=1.30
14 O      -1.073419000000       1.562068000000      -0.886180000000     R=1.72
15 N      -2.574109000000      -0.798392000000       0.066439000000     R=1.83
16 O      -3.943593000000       1.790789000000       0.371794000000     R=1.72
17 C      -1.743406000000       1.358917000000      -2.054241000000     R=2.00
18 C      -2.311180000000       0.098392000000      -2.314904000000     R=2.00
19 C      -3.025187000000      -0.098046000000      -3.499572000000     R=2.00
20 C      -3.197982000000       0.929887000000      -4.428992000000     R=2.00
21 C      -2.607497000000       2.170763000000      -4.151441000000     R=2.00
22 C      -1.882981000000       2.411354000000      -2.981568000000     R=2.00
23 C      -2.083581000000      -1.023437000000      -1.338696000000     R=2.00
24 H      -3.480503000000      -1.073715000000      -3.683967000000     R=1.30
25 H      -2.727989000000       2.989315000000      -4.866527000000     R=1.30
26 C      -4.814520000000       1.264387000000      -0.520608000000     R=2.00
27 C      -5.591433000000       2.127249000000      -1.318667000000     R=2.00
28 C      -6.467666000000       1.559665000000      -2.246773000000     R=2.00
29 C      -6.594155000000       0.173531000000      -2.412101000000     R=2.00
30 C      -5.802004000000      -0.654883000000      -1.612555000000     R=2.00
31 C      -4.906530000000      -0.130674000000      -0.676346000000     R=2.00
32 H      -7.065906000000       2.226866000000      -2.873338000000     R=1.30
33 H      -5.862691000000      -1.739709000000      -1.731731000000     R=1.30
34 C      -4.056244000000      -1.034561000000       0.166614000000     R=2.00
35 H      -4.260072000000      -2.086058000000      -0.101521000000     R=1.30
36 C      -1.889880000000      -1.836007000000       0.916802000000     R=2.00
37 H      -2.007277000000      -2.820889000000       0.432139000000     R=1.30
38 H      -0.815812000000      -1.594694000000       0.891558000000     R=1.30
39 H      -5.548105000000       3.938995000000      -0.140388000000     R=1.30
40 H      -4.406236000000       3.913177000000      -1.482071000000     R=1.30
41 S       0.912883000000       0.693848000000       1.222852000000     R=2.16
42 H      -1.882889000000       0.890331000000       5.335316000000     R=1.30
43 H      -3.259103000000      -5.465120000000       4.089873000000     R=1.30
44 H      -5.070871000000       1.103399000000      -5.483055000000     R=1.30
45 H      -1.269636000000       4.391293000000      -3.579238000000     R=1.30
46 H      -6.141231000000       4.151729000000      -1.813155000000     R=1.30
47 H      -8.362975000000       0.255509000000      -3.659535000000     R=1.30
48 C      -2.839984000000       0.348469000000       5.356410000000     R=2.00
49 H      -3.596926000000       1.046500000000       4.967755000000     R=1.30
50 H      -3.087180000000       0.107540000000       6.397687000000     R=1.30
51 C      -3.284215000000      -4.675098000000       4.851754000000     R=2.00
52 H      -2.553077000000      -4.936329000000       5.632086000000     R=1.30
53 H      -4.277478000000      -4.690521000000       5.324713000000     R=1.30
54 C      -1.289824000000       3.760530000000      -2.681863000000     R=2.00
55 H      -1.883720000000       4.293981000000      -1.920737000000     R=1.30
56 H      -0.266436000000       3.671803000000      -2.290333000000     R=1.30
57 C      -4.047670000000       0.733280000000      -5.657551000000     R=2.00
58 H      -3.645713000000       1.280563000000      -6.521529000000     R=1.30
59 H      -4.125279000000      -0.328570000000      -5.926788000000     R=1.30
60 C      -7.505708000000      -0.403085000000      -3.464814000000     R=2.00
61 H      -6.970041000000      -0.532857000000      -4.419227000000     R=1.30
62 H      -7.888625000000      -1.389453000000      -3.169577000000     R=1.30
63 C      -5.422704000000       3.613297000000      -1.182941000000     R=2.00
64 O      -1.106296000000       3.028399000000       1.933853000000     R=1.72
65 C       1.770861000000       2.244268000000       0.844434000000     R=2.00
66 O      -1.898475000000       3.806526000000       0.945964000000     R=1.72
67 H      -1.214095000000       4.086689000000       0.299575000000     R=1.30
68 C       1.578231000000      -0.273017000000      -0.163288000000     R=2.00
69 H       2.673073000000      -0.238344000000      -0.114531000000     R=1.30
70 H       1.198202000000       0.162217000000      -1.094436000000     R=1.30
71 H       1.224225000000      -1.302837000000      -0.043772000000     R=1.30
72 H       2.850206000000       2.052197000000       0.832967000000     R=1.30
73 H       1.492853000000       2.954602000000       1.629315000000     R=1.30
74 H       1.412363000000       2.594199000000      -0.131421000000     R=1.30
75 O       1.478069000000       0.130333000000       2.498359000000     R=1.72
END


SOLVATION
    Surf Esurf
    Solv name=Chloroform cav0=0.0 cav1=0.0067639
    Charged method=CONJ
    C-Mat POT
    SCF VAR ALL 
    CSMRSP
END

BASIS
type TZ2P
core Small
createoutput None
END

XC
GGA PBE
DISPERSION Grimme3
END

RELATIVISTIC Scalar ZORA

SCANFREQ -1000 0

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

