ATOMS
1 O      -0.145995000000      -0.363675000000       2.941869000000     R=1.72
2 C      -1.078234000000      -1.353906000000       3.084715000000     R=2.00
3 C      -1.035732000000      -2.110647000000       4.272906000000     R=2.00
4 C      -1.974248000000      -3.127499000000       4.446425000000     R=2.00
5 C      -2.949189000000      -3.424480000000       3.482740000000     R=2.00
6 C      -2.946470000000      -2.677324000000       2.304491000000     R=2.00
7 C      -2.033414000000      -1.631920000000       2.083765000000     R=2.00
8 H      -2.271043000000       0.019960000000      -1.537426000000     R=1.30
9 H      -1.949265000000      -3.705058000000       5.374368000000     R=1.30
10 H      -3.661436000000      -2.924484000000       1.516681000000     R=1.30
11 H      -4.477267000000      -0.794306000000       1.283195000000     R=1.30
12 V      -2.978697000000       2.259316000000       2.280063000000     R=1.908
13 H      -1.307298000000       1.141199000000      -0.548902000000     R=1.30
14 O      -3.157496000000       3.169221000000       0.689127000000     R=1.72
15 N      -2.861225000000       0.250916000000       0.495225000000     R=1.83
16 O      -4.829849000000       1.764729000000       2.229227000000     R=1.72
17 C      -3.415433000000       3.111917000000      -0.620201000000     R=2.00
18 C      -3.076864000000       1.980310000000      -1.386451000000     R=2.00
19 C      -3.378806000000       1.973849000000      -2.748414000000     R=2.00
20 C      -4.017639000000       3.052753000000      -3.369945000000     R=2.00
21 C      -4.342237000000       4.166659000000      -2.583839000000     R=2.00
22 C      -4.055651000000       4.222690000000      -1.220649000000     R=2.00
23 C      -2.336310000000       0.823147000000      -0.778079000000     R=2.00
24 H      -3.121177000000       1.090040000000      -3.337753000000     R=1.30
25 H      -4.845547000000       5.019408000000      -3.047205000000     R=1.30
26 C      -5.603837000000       1.724933000000       1.119855000000     R=2.00
27 C      -6.673978000000       2.630692000000       0.991727000000     R=2.00
28 C      -7.447592000000       2.574624000000      -0.170415000000     R=2.00
29 C      -7.194998000000       1.648374000000      -1.191034000000     R=2.00
30 C      -6.147599000000       0.737905000000      -1.012138000000     R=2.00
31 C      -5.343114000000       0.762947000000       0.128214000000     R=2.00
32 H      -8.269578000000       3.286397000000      -0.286859000000     R=1.30
33 H      -5.934751000000       0.002718000000      -1.792297000000     R=1.30
34 C      -4.257118000000      -0.259315000000       0.347685000000     R=2.00
35 H      -4.287294000000      -1.000837000000      -0.474172000000     R=1.30
36 C      -1.960315000000      -0.926286000000       0.752292000000     R=2.00
37 H      -2.148424000000      -1.672218000000      -0.044248000000     R=1.30
38 H      -0.934527000000      -0.563326000000       0.607385000000     R=1.30
39 H      -7.292926000000       3.096310000000       3.006253000000     R=1.30
40 H      -6.027732000000       4.146562000000       2.383844000000     R=1.30
41 O      -2.895742000000       3.507395000000       3.289114000000     R=1.72
42 H       1.010940000000      -1.898184000000       4.939100000000     R=1.30
43 H      -4.430769000000      -4.839506000000       2.787053000000     R=1.30
44 H      -5.427516000000       2.641564000000      -4.951595000000     R=1.30
45 H      -4.808976000000       6.227273000000      -0.990136000000     R=1.30
46 H      -7.709058000000       4.341551000000       1.801846000000     R=1.30
47 H      -9.007120000000       2.051008000000      -2.307643000000     R=1.30
48 C      -0.013058000000      -1.787043000000       5.325478000000     R=2.00
49 H      -0.111618000000      -0.741535000000       5.653378000000     R=1.30
50 H      -0.129008000000      -2.442067000000       6.197539000000     R=1.30
51 C      -3.973501000000      -4.501522000000       3.726375000000     R=2.00
52 H      -3.529653000000      -5.372418000000       4.228519000000     R=1.30
53 H      -4.783717000000      -4.131371000000       4.373956000000     R=1.30
54 C      -4.442571000000       5.398212000000      -0.372614000000     R=2.00
55 H      -5.236534000000       5.114643000000       0.334075000000     R=1.30
56 H      -3.597203000000       5.748779000000       0.236136000000     R=1.30
57 C      -4.392693000000       2.999855000000      -4.827047000000     R=2.00
58 H      -4.336582000000       3.993025000000      -5.293063000000     R=1.30
59 H      -3.740498000000       2.315956000000      -5.386192000000     R=1.30
60 C      -7.990354000000       1.668401000000      -2.469886000000     R=2.00
61 H      -7.507931000000       2.322688000000      -3.214338000000     R=1.30
62 H      -8.064195000000       0.666864000000      -2.915114000000     R=1.30
63 C      -6.944997000000       3.611753000000       2.097422000000     R=2.00
64 O      -0.958433000000       1.984764000000       1.865269000000     R=1.72
65 O      -2.797373000000       0.927833000000       3.580246000000     R=1.72
66 H      -2.957804000000       0.019611000000       3.256084000000     R=1.30
67 H      -0.541708000000       0.429763000000       2.477794000000     R=1.30
68 N       0.053229000000       2.888340000000       2.276612000000     R=1.83
69 C       0.159050000000       2.905606000000       3.775072000000     R=2.00
70 C      -0.238027000000       4.259868000000       1.744439000000     R=2.00
71 H      -0.793426000000       3.265786000000       4.170232000000     R=1.30
72 H       0.981670000000       3.570739000000       4.056011000000     R=1.30
73 H       0.347589000000       1.879894000000       4.103874000000     R=1.30
74 H      -1.163531000000       4.611906000000       2.204632000000     R=1.30
75 H      -0.355988000000       4.173383000000       0.661325000000     R=1.30
76 H       0.602191000000       4.912328000000       2.001260000000     R=1.30
77 C       1.329527000000       2.378668000000       1.677860000000     R=2.00
78 H       1.196392000000       2.347462000000       0.593507000000     R=1.30
79 H       1.514464000000       1.376024000000       2.072414000000     R=1.30
80 H       2.141448000000       3.059071000000       1.954057000000     R=1.30
81 O      -4.719892000000       1.227507000000       5.453930000000     R=1.72
82 O      -5.733967000000       0.647693000000       4.551547000000     R=1.72
83 H      -3.896006000000       1.089349000000       4.901350000000     R=1.30
84 H      -5.516668000000       1.118193000000       3.699066000000     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

