ATOMS
1 O      -7.314467000000       1.697442000000       2.830358000000     R=1.72
2 C      -7.845600000000       0.753030000000       1.957287000000     R=2.00
3 C      -9.071654000000       0.987077000000       1.315313000000     R=2.00
4 C      -9.564425000000      -0.007625000000       0.466833000000     R=2.00
5 C      -8.878649000000      -1.209527000000       0.249687000000     R=2.00
6 C      -7.661608000000      -1.395400000000       0.911199000000     R=2.00
7 C      -7.113878000000      -0.422943000000       1.757636000000     R=2.00
8 H      -3.398434000000      -1.283566000000       3.119005000000     R=1.30
9 H     -10.519638000000       0.163688000000      -0.035527000000     R=1.30
10 H      -7.118515000000      -2.334209000000       0.779461000000     R=1.30
11 H      -5.328403000000      -0.875630000000       0.023754000000     R=1.30
12 V      -4.230175000000       2.985132000000       0.636285000000     R=1.908
13 H      -3.802877000000       0.362290000000       3.654725000000     R=1.30
14 O      -2.990234000000       2.382209000000       1.758364000000     R=1.72
15 N      -4.605885000000      -0.113779000000       1.803395000000     R=1.83
16 O      -4.426531000000       1.724942000000      -0.647570000000     R=1.72
17 C      -1.926407000000       1.546661000000       1.863963000000     R=2.00
18 C      -2.139066000000       0.236276000000       2.326345000000     R=2.00
19 C      -1.038152000000      -0.619786000000       2.403649000000     R=2.00
20 C       0.243229000000      -0.216517000000       2.015477000000     R=2.00
21 C       0.411788000000       1.095624000000       1.553609000000     R=2.00
22 C      -0.651195000000       1.996389000000       1.469108000000     R=2.00
23 C      -3.499018000000      -0.230895000000       2.777040000000     R=2.00
24 H      -1.196535000000      -1.642414000000       2.754369000000     R=1.30
25 H       1.403935000000       1.429939000000       1.240199000000     R=1.30
26 C      -3.417737000000       0.870575000000      -1.022404000000     R=2.00
27 C      -2.514207000000       1.263616000000      -2.029418000000     R=2.00
28 C      -1.472166000000       0.390043000000      -2.353269000000     R=2.00
29 C      -1.313983000000      -0.848757000000      -1.721013000000     R=2.00
30 C      -2.259283000000      -1.221337000000      -0.761669000000     R=2.00
31 C      -3.314006000000      -0.383256000000      -0.389558000000     R=2.00
32 H      -0.757921000000       0.694911000000      -3.122321000000     R=1.30
33 H      -2.164818000000      -2.188735000000      -0.262780000000     R=1.30
34 C      -4.372049000000      -0.882228000000       0.566434000000     R=2.00
35 H      -4.147663000000      -1.943708000000       0.809264000000     R=1.30
36 C      -5.811537000000      -0.654430000000       2.480451000000     R=2.00
37 H      -5.690509000000      -1.746482000000       2.648976000000     R=1.30
38 H      -5.860729000000      -0.178962000000       3.469090000000     R=1.30
39 H      -3.670993000000       2.648238000000      -3.210563000000     R=1.30
40 H      -2.626297000000       3.425568000000      -2.027896000000     R=1.30
41 O      -3.704747000000       4.343354000000      -0.047599000000     R=1.72
42 H     -10.076467000000       2.415603000000       2.609738000000     R=1.30
43 H      -8.981335000000      -3.240149000000      -0.488452000000     R=1.30
44 H       1.560431000000      -1.626019000000       1.050509000000     R=1.30
45 H       0.577163000000       3.598488000000       0.724030000000     R=1.30
46 H      -1.912143000000       2.713091000000      -3.500285000000     R=1.30
47 H       0.219567000000      -1.589400000000      -3.059624000000     R=1.30
48 C      -9.815612000000       2.274646000000       1.547069000000     R=2.00
49 H      -9.220381000000       3.147551000000       1.234834000000     R=1.30
50 H     -10.753671000000       2.289060000000       0.980190000000     R=1.30
51 C      -9.427462000000      -2.256502000000      -0.685050000000     R=2.00
52 H     -10.518418000000      -2.346231000000      -0.590436000000     R=1.30
53 H      -9.212345000000      -1.998964000000      -1.733993000000     R=1.30
54 C      -0.475906000000       3.393784000000       0.950741000000     R=2.00
55 H      -1.066766000000       3.550831000000       0.034959000000     R=1.30
56 H      -0.834219000000       4.137904000000       1.676502000000     R=1.30
57 C       1.401734000000      -1.178079000000       2.044710000000     R=2.00
58 H       2.336569000000      -0.673984000000       2.325299000000     R=1.30
59 H       1.224131000000      -1.999997000000       2.750436000000     R=1.30
60 C      -0.137320000000      -1.736074000000      -2.031443000000     R=2.00
61 H       0.704392000000      -1.510493000000      -1.356873000000     R=1.30
62 H      -0.386745000000      -2.797218000000      -1.897236000000     R=1.30
63 C      -2.682982000000       2.581669000000      -2.731292000000     R=2.00
64 H      -8.011666000000       2.343195000000       3.054220000000     R=1.30
65 O      -5.773392000000       3.416090000000       1.410427000000     R=1.72
66 H      -6.190635000000       2.696003000000       1.959931000000     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

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

