ATOMS
1 O      -5.029406000000      -0.376218000000       0.349910000000     R=1.72
2 C      -5.081404000000      -0.133672000000      -0.990549000000     R=2.00
3 C      -4.525191000000      -1.081415000000      -1.868895000000     R=2.00
4 C      -4.560656000000      -0.813117000000      -3.239818000000     R=2.00
5 C      -5.115560000000       0.362267000000      -3.764522000000     R=2.00
6 C      -5.664024000000       1.281597000000      -2.864071000000     R=2.00
7 C      -5.660773000000       1.049374000000      -1.487280000000     R=2.00
8 H      -3.831465000000       3.749702000000       0.985849000000     R=1.30
9 H      -4.115722000000      -1.542238000000      -3.923098000000     R=1.30
10 H      -6.095794000000       2.214194000000      -3.238317000000     R=1.30
11 H      -6.907963000000       3.562182000000       1.416028000000     R=1.30
12 V      -2.700919000000       2.348326000000       3.450614000000     R=1.908
13 H      -4.409589000000       3.793109000000      -0.693631000000     R=1.30
14 O      -2.911875000000       1.274369000000       1.928719000000     R=1.72
15 N      -5.338362000000       2.358148000000       0.592659000000     R=1.83
16 O      -4.438997000000       2.000282000000       3.919606000000     R=1.72
17 C      -2.448805000000       1.325602000000       0.670805000000     R=2.00
18 C      -3.000197000000       2.230549000000      -0.265968000000     R=2.00
19 C      -2.497638000000       2.256915000000      -1.566535000000     R=2.00
20 C      -1.485700000000       1.388367000000      -1.987363000000     R=2.00
21 C      -0.986880000000       0.469251000000      -1.055153000000     R=2.00
22 C      -1.451638000000       0.410198000000       0.261118000000     R=2.00
23 C      -4.150048000000       3.119589000000       0.145419000000     R=2.00
24 H      -2.948908000000       2.944533000000      -2.286622000000     R=1.30
25 H      -0.223337000000      -0.247626000000      -1.371228000000     R=1.30
26 C      -5.627097000000       1.422120000000       3.720808000000     R=2.00
27 C      -6.016259000000       0.367933000000       4.580053000000     R=2.00
28 C      -7.284074000000      -0.194075000000       4.418008000000     R=2.00
29 C      -8.187229000000       0.260780000000       3.447842000000     R=2.00
30 C      -7.774886000000       1.304557000000       2.611135000000     R=2.00
31 C      -6.509467000000       1.887179000000       2.716019000000     R=2.00
32 H      -7.579431000000      -1.013952000000       5.078802000000     R=1.30
33 H      -8.463464000000       1.680284000000       1.849401000000     R=1.30
34 C      -6.047784000000       2.952216000000       1.750687000000     R=2.00
35 H      -5.348167000000       3.619542000000       2.267171000000     R=1.30
36 C      -6.257426000000       2.030899000000      -0.511052000000     R=2.00
37 H      -7.150582000000       1.576536000000      -0.052738000000     R=1.30
38 H      -6.590141000000       2.945950000000      -1.043261000000     R=1.30
39 H      -4.084174000000      -0.356123000000       5.208580000000     R=1.30
40 H      -4.863835000000       0.697504000000       6.373231000000     R=1.30
41 O      -2.747067000000       3.923199000000       3.055895000000     R=1.72
42 H      -3.451030000000      -2.933355000000      -2.114310000000     R=1.30
43 H      -5.179310000000      -0.266367000000      -5.838559000000     R=1.30
44 H      -0.018590000000       0.953706000000      -3.522845000000     R=1.30
45 H      -0.306225000000      -1.353871000000       0.730451000000     R=1.30
46 H      -5.461717000000      -0.972062000000       6.175448000000     R=1.30
47 H      -9.575836000000      -1.388118000000       3.638387000000     R=1.30
48 C      -3.874018000000      -2.315600000000      -1.311953000000     R=2.00
49 H      -3.068550000000      -2.038559000000      -0.615644000000     R=1.30
50 H      -4.587043000000      -2.927484000000      -0.739072000000     R=1.30
51 C      -5.064731000000       0.650789000000      -5.243881000000     R=2.00
52 H      -5.853969000000       1.353833000000      -5.543649000000     R=1.30
53 H      -4.099697000000       1.102371000000      -5.527519000000     R=1.30
54 C      -0.947030000000      -0.617245000000       1.232177000000     R=2.00
55 H      -0.378220000000      -0.142007000000       2.043897000000     R=1.30
56 H      -1.790890000000      -1.137670000000       1.708316000000     R=1.30
57 C      -1.030652000000       1.369382000000      -3.423366000000     R=2.00
58 H      -1.705872000000       0.745915000000      -4.032148000000     R=1.30
59 H      -1.035412000000       2.376639000000      -3.863070000000     R=1.30
60 C      -9.566726000000      -0.334280000000       3.328246000000     R=2.00
61 H     -10.288443000000       0.199905000000       3.967237000000     R=1.30
62 H      -9.939550000000      -0.275924000000       2.296547000000     R=1.30
63 C      -5.061838000000      -0.101168000000       5.641290000000     R=2.00
64 O      -0.652144000000       2.194455000000       2.847709000000     R=1.72
65 O      -2.050508000000       2.331486000000       5.214708000000     R=1.72
66 O      -1.783919000000       0.769754000000       4.614490000000     R=1.72
67 H      -5.070161000000       0.524371000000       0.793201000000     R=1.30
68 N       0.224530000000       3.245292000000       2.543170000000     R=1.83
69 C       0.311236000000       4.220929000000       3.679202000000     R=2.00
70 C      -0.219872000000       3.932516000000       1.283260000000     R=2.00
71 H       0.603228000000       3.659055000000       4.570194000000     R=1.30
72 H      -0.681509000000       4.653921000000       3.817363000000     R=1.30
73 H       1.052815000000       4.988316000000       3.432245000000     R=1.30
74 H       0.515106000000       4.701042000000       1.020716000000     R=1.30
75 H      -1.200777000000       4.369551000000       1.480486000000     R=1.30
76 H      -0.296466000000       3.166837000000       0.505988000000     R=1.30
77 C       1.558950000000       2.605892000000       2.315347000000     R=2.00
78 H       1.846788000000       2.099390000000       3.240444000000     R=1.30
79 H       2.288259000000       3.377880000000       2.046901000000     R=1.30
80 H       1.437931000000       1.880755000000       1.506010000000     R=1.30
81 H      -0.876595000000       0.946184000000       4.266459000000     R=1.30
82 S      -2.552997000000       4.396772000000       6.310764000000     R=2.16
83 H      -3.290174000000       2.486954000000       7.565930000000     R=1.30
84 H      -4.771808000000       3.694825000000       5.683177000000     R=1.30
85 C      -4.289984000000       4.661828000000       5.871067000000     R=2.00
86 H      -4.801821000000       5.214230000000       6.668696000000     R=1.30
87 H      -4.291801000000       5.244634000000       4.943568000000     R=1.30
88 C      -2.762233000000       3.415689000000       7.815749000000     R=2.00
89 H      -1.758205000000       3.175119000000       8.183025000000     R=1.30
90 H      -3.308786000000       3.988186000000       8.575085000000     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

