ATOMS
1 O      -3.140431000000       0.508783000000       2.833126000000     R=1.72
2 C      -4.240499000000      -0.220870000000       3.022829000000     R=2.00
3 C      -5.320675000000       0.360323000000       3.718136000000     R=2.00
4 C      -6.453539000000      -0.420467000000       3.936193000000     R=2.00
5 C      -6.581797000000      -1.717745000000       3.425356000000     R=2.00
6 C      -5.556973000000      -2.210665000000       2.611022000000     R=2.00
7 C      -4.392207000000      -1.479543000000       2.375074000000     R=2.00
8 H      -2.340465000000      -2.530559000000      -0.921220000000     R=1.30
9 H      -7.288144000000       0.016871000000       4.490320000000     R=1.30
10 H      -5.662549000000      -3.192957000000       2.143743000000     R=1.30
11 H      -5.042368000000      -0.643264000000       0.406939000000     R=1.30
12 V      -2.047353000000       0.929777000000       1.426986000000     R=1.908
13 H      -1.056493000000      -1.782983000000       0.073543000000     R=1.30
14 O      -1.249063000000       1.152077000000      -0.208991000000     R=1.72
15 N      -2.969593000000      -0.964713000000       0.356293000000     R=1.83
16 O      -3.618213000000       1.804631000000       0.776992000000     R=1.72
17 C      -1.205228000000       0.672226000000      -1.450468000000     R=2.00
18 C      -1.509780000000      -0.698493000000      -1.698296000000     R=2.00
19 C      -1.466226000000      -1.176590000000      -3.012116000000     R=2.00
20 C      -1.142369000000      -0.334155000000      -4.084073000000     R=2.00
21 C      -0.845229000000       1.015292000000      -3.810167000000     R=2.00
22 C      -0.874250000000       1.544020000000      -2.522271000000     R=2.00
23 C      -1.935611000000      -1.569640000000      -0.555869000000     R=2.00
24 H      -1.728918000000      -2.220982000000      -3.202724000000     R=1.30
25 H      -0.597612000000       1.683449000000      -4.639218000000     R=1.30
26 C      -4.023164000000       1.879417000000      -0.498027000000     R=2.00
27 C      -4.116465000000       3.106498000000      -1.203889000000     R=2.00
28 C      -4.480113000000       3.071202000000      -2.549678000000     R=2.00
29 C      -4.744246000000       1.866396000000      -3.232571000000     R=2.00
30 C      -4.689950000000       0.670401000000      -2.502153000000     R=2.00
31 C      -4.299909000000       0.637700000000      -1.159298000000     R=2.00
32 H      -4.530826000000       4.015941000000      -3.099648000000     R=1.30
33 H      -4.877586000000      -0.278459000000      -3.012106000000     R=1.30
34 C      -4.259431000000      -0.669096000000      -0.362878000000     R=2.00
35 H      -4.515334000000      -1.511377000000      -1.030758000000     R=1.30
36 C      -3.320586000000      -1.972662000000       1.417799000000     R=2.00
37 H      -3.671533000000      -2.899102000000       0.929643000000     R=1.30
38 H      -2.382253000000      -2.198209000000       1.933031000000     R=1.30
39 H      -4.441645000000       4.510747000000       0.410128000000     R=1.30
40 H      -2.762488000000       4.396236000000      -0.121097000000     R=1.30
41 O      -1.233251000000       2.380273000000       2.216747000000     R=1.72
42 H      -4.505198000000       1.976052000000       4.896709000000     R=1.30
43 H      -7.943889000000      -3.337926000000       2.980247000000     R=1.30
44 H      -2.190120000000      -0.751727000000      -5.924550000000     R=1.30
45 H       0.065628000000       3.155562000000      -1.428307000000     R=1.30
46 H      -3.950069000000       5.258518000000      -1.134636000000     R=1.30
47 H      -5.448648000000       2.809626000000      -5.055467000000     R=1.30
48 C      -5.259208000000       1.806750000000       4.114999000000     R=2.00
49 H      -4.969086000000       2.433030000000       3.257625000000     R=1.30
50 H      -6.229677000000       2.148139000000       4.497458000000     R=1.30
51 C      -7.809315000000      -2.539819000000       3.721394000000     R=2.00
52 H      -7.735177000000      -3.017486000000       4.711765000000     R=1.30
53 H      -8.715374000000      -1.918680000000       3.730194000000     R=1.30
54 C      -0.635873000000       3.002798000000      -2.260698000000     R=2.00
55 H      -0.246174000000       3.501198000000      -3.157961000000     R=1.30
56 H      -1.582028000000       3.491289000000      -1.972163000000     R=1.30
57 C      -1.176389000000      -0.843623000000      -5.500527000000     R=2.00
58 H      -0.499100000000      -0.272010000000      -6.149407000000     R=1.30
59 H      -0.896126000000      -1.904568000000      -5.554987000000     R=1.30
60 C      -5.014445000000       1.859437000000      -4.715370000000     R=2.00
61 H      -4.077100000000       1.705205000000      -5.272958000000     R=1.30
62 H      -5.696852000000       1.046434000000      -4.999740000000     R=1.30
63 C      -3.805944000000       4.389001000000      -0.481406000000     R=2.00
64 O      -0.799897000000      -0.316344000000       1.796166000000     R=1.72
65 H       1.708267000000       1.676938000000       4.807070000000     R=1.30
66 O      -0.201135000000      -0.511097000000       4.423707000000     R=1.72
67 H      -1.861020000000       3.089579000000       2.298711000000     R=1.30
68 S      -0.156988000000       0.480780000000       5.607037000000     R=2.16
69 C       0.660482000000       1.954877000000       4.958951000000     R=2.00
70 C      -1.765885000000       1.303105000000       5.743732000000     R=2.00
71 H      -1.664395000000       2.076333000000       6.519644000000     R=1.30
72 H      -2.473490000000       0.527431000000       6.065307000000     R=1.30
73 H      -2.045868000000       1.707398000000       4.763652000000     R=1.30
74 H       0.572947000000       2.753332000000       5.704709000000     R=1.30
75 H       0.155950000000       2.204112000000       4.019255000000     R=1.30
76 H      -0.572258000000      -0.468102000000       2.830366000000     R=1.30
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

GEOMETRY
	step trustradius=0.050
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

