ATOMS
1 O      -5.335216000000       0.973987000000       0.293498000000     R=1.72
2 C      -5.939185000000       1.224463000000      -0.910104000000     R=2.00
3 C      -5.722418000000       0.343859000000      -1.983990000000     R=2.00
4 C      -6.332378000000       0.636865000000      -3.205750000000     R=2.00
5 C      -7.131180000000       1.772870000000      -3.398159000000     R=2.00
6 C      -7.316251000000       2.630788000000      -2.310307000000     R=2.00
7 C      -6.738340000000       2.370381000000      -1.064473000000     R=2.00
8 H      -4.256558000000       5.105686000000       0.693284000000     R=1.30
9 H      -6.157097000000      -0.039902000000      -4.046607000000     R=1.30
10 H      -7.919813000000       3.534576000000      -2.430431000000     R=1.30
11 H      -6.599576000000       5.028009000000       2.107518000000     R=1.30
12 V      -2.773699000000       2.542109000000       3.155086000000     R=1.908
13 H      -5.287668000000       4.965311000000      -0.743411000000     R=1.30
14 O      -2.656049000000       3.194556000000       1.453261000000     R=1.72
15 N      -5.684521000000       3.574249000000       0.826159000000     R=1.83
16 O      -4.491506000000       1.819479000000       2.953409000000     R=1.72
17 C      -2.647399000000       2.971052000000       0.120527000000     R=2.00
18 C      -3.668489000000       3.562135000000      -0.657600000000     R=2.00
19 C      -3.692223000000       3.339439000000      -2.033950000000     R=2.00
20 C      -2.735650000000       2.544632000000      -2.669102000000     R=2.00
21 C      -1.712331000000       2.003983000000      -1.880109000000     R=2.00
22 C      -1.632894000000       2.203665000000      -0.499896000000     R=2.00
23 C      -4.737105000000       4.385897000000       0.016629000000     R=2.00
24 H      -4.512226000000       3.764402000000      -2.616880000000     R=1.30
25 H      -0.939412000000       1.393661000000      -2.355458000000     R=1.30
26 C      -5.718120000000       2.007099000000       3.478405000000     R=2.00
27 C      -6.274332000000       1.018323000000       4.323556000000     R=2.00
28 C      -7.566380000000       1.208028000000       4.820405000000     R=2.00
29 C      -8.336369000000       2.334985000000       4.509189000000     R=2.00
30 C      -7.773140000000       3.285146000000       3.650275000000     R=2.00
31 C      -6.485769000000       3.141744000000       3.127670000000     R=2.00
32 H      -7.990348000000       0.436043000000       5.468543000000     R=1.30
33 H      -8.357515000000       4.162601000000       3.360307000000     R=1.30
34 C      -5.923517000000       4.152915000000       2.164659000000     R=2.00
35 H      -4.953457000000       4.507402000000       2.535124000000     R=1.30
36 C      -6.946240000000       3.292209000000       0.111811000000     R=2.00
37 H      -7.616937000000       2.809093000000       0.841464000000     R=1.30
38 H      -7.439239000000       4.227849000000      -0.217373000000     R=1.30
39 H      -4.934262000000      -0.596162000000       3.811191000000     R=1.30
40 H      -4.764535000000      -0.008136000000       5.486456000000     R=1.30
41 O      -3.155844000000       3.719171000000       4.177685000000     R=1.72
42 H      -4.779691000000      -1.440957000000      -2.732274000000     R=1.30
43 H      -8.378833000000       1.234436000000      -5.086910000000     R=1.30
44 H      -1.863539000000       2.416256000000      -4.648307000000     R=1.30
45 H       0.215118000000       1.120213000000      -0.374187000000     R=1.30
46 H      -6.150543000000      -1.005836000000       5.052785000000     R=1.30
47 H     -10.240659000000       1.554812000000       5.178110000000     R=1.30
48 C      -4.813011000000      -0.839623000000      -1.815178000000     R=2.00
49 H      -3.790307000000      -0.511240000000      -1.574945000000     R=1.30
50 H      -5.133526000000      -1.485779000000      -0.984972000000     R=1.30
51 C      -7.743195000000       2.064776000000      -4.744698000000     R=2.00
52 H      -8.360415000000       2.972246000000      -4.713932000000     R=1.30
53 H      -6.967230000000       2.211336000000      -5.511959000000     R=1.30
54 C      -0.494505000000       1.628490000000       0.290565000000     R=2.00
55 H       0.032471000000       2.409994000000       0.852628000000     R=1.30
56 H      -0.863312000000       0.902840000000       1.027845000000     R=1.30
57 C      -2.823330000000       2.240963000000      -4.140853000000     R=2.00
58 H      -3.090419000000       1.185321000000      -4.303401000000     R=1.30
59 H      -3.591425000000       2.853822000000      -4.630004000000     R=1.30
60 C      -9.716357000000       2.516010000000       5.085838000000     R=2.00
61 H      -9.669137000000       2.957849000000       6.093946000000     R=1.30
62 H     -10.326228000000       3.183855000000       4.462993000000     R=1.30
63 C      -5.489270000000      -0.213764000000       4.679532000000     R=2.00
64 O      -0.779287000000       2.781680000000       3.171376000000     R=1.72
65 O      -2.360432000000       0.923135000000       4.082328000000     R=1.72
66 H       0.846008000000       4.555880000000       3.991729000000     R=1.30
67 H      -5.298248000000       1.872923000000       0.773603000000     R=1.30
68 N       0.147946000000       2.581228000000       4.214563000000     R=1.83
69 C       0.663665000000       1.172369000000       4.143581000000     R=2.00
70 C      -0.440789000000       2.865299000000       5.565333000000     R=2.00
71 H       1.087685000000       1.031833000000       3.145832000000     R=1.30
72 H      -0.189454000000       0.509545000000       4.298682000000     R=1.30
73 H       1.427652000000       1.038404000000       4.917063000000     R=1.30
74 H       0.357003000000       2.783551000000       6.310730000000     R=1.30
75 H      -1.227721000000       2.130839000000       5.746719000000     R=1.30
76 H      -0.855180000000       3.875895000000       5.539885000000     R=1.30
77 C       1.261354000000       3.546052000000       3.942177000000     R=2.00
78 H       1.640145000000       3.338596000000       2.938326000000     R=1.30
79 H       2.045754000000       3.406018000000       4.693813000000     R=1.30
80 H      -3.161239000000       0.639764000000       4.561003000000     R=1.30
81 O      -2.939940000000      -0.324839000000       1.007849000000     R=1.72
82 O      -3.023399000000      -1.088284000000       2.258395000000     R=1.72
83 H      -2.697068000000      -0.400751000000       2.903674000000     R=1.30
84 H      -3.861301000000       0.022221000000       0.888452000000     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
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

