ATOMS
1 O      -1.091984000000      -2.212122000000       1.779248000000     R=1.72
2 C      -2.391997000000      -2.613919000000       1.834050000000     R=2.00
3 C      -2.705627000000      -3.525630000000       2.868965000000     R=2.00
4 C      -3.988206000000      -4.066006000000       2.933325000000     R=2.00
5 C      -4.976424000000      -3.754800000000       1.989665000000     R=2.00
6 C      -4.641908000000      -2.853442000000       0.979095000000     R=2.00
7 C      -3.380685000000      -2.231281000000       0.895798000000     R=2.00
8 H      -3.002225000000       0.611754000000      -2.109334000000     R=1.30
9 H      -4.220980000000      -4.763404000000       3.742444000000     R=1.30
10 H      -5.382284000000      -2.642382000000       0.206521000000     R=1.30
11 H      -5.615922000000      -0.625472000000       0.225296000000     R=1.30
12 V      -4.023068000000       1.670049000000       2.440431000000     R=1.908
13 H      -1.870315000000       0.844469000000      -0.750162000000     R=1.30
14 O      -2.835768000000       2.588531000000       1.326948000000     R=1.72
15 N      -3.695315000000       0.087469000000      -0.153345000000     R=1.83
16 O      -5.481840000000       2.025243000000       1.439629000000     R=1.72
17 C      -3.125809000000       3.194592000000       0.153506000000     R=2.00
18 C      -3.227785000000       2.447525000000      -1.036561000000     R=2.00
19 C      -3.553463000000       3.118836000000      -2.218624000000     R=2.00
20 C      -3.788319000000       4.496461000000      -2.252639000000     R=2.00
21 C      -3.652369000000       5.215350000000      -1.057764000000     R=2.00
22 C      -3.321218000000       4.592591000000       0.147382000000     R=2.00
23 C      -2.917004000000       0.970039000000      -1.062398000000     R=2.00
24 H      -3.660594000000       2.535124000000      -3.136598000000     R=1.30
25 H      -3.826466000000       6.294950000000      -1.059812000000     R=1.30
26 C      -6.079457000000       2.169105000000       0.246661000000     R=2.00
27 C      -6.885548000000       3.312491000000       0.044454000000     R=2.00
28 C      -7.499831000000       3.479361000000      -1.197461000000     R=2.00
29 C      -7.344513000000       2.553213000000      -2.235894000000     R=2.00
30 C      -6.550047000000       1.425341000000      -1.997149000000     R=2.00
31 C      -5.905136000000       1.217469000000      -0.778029000000     R=2.00
32 H      -8.115253000000       4.367765000000      -1.360448000000     R=1.30
33 H      -6.411994000000       0.688243000000      -2.792050000000     R=1.30
34 C      -5.114535000000      -0.044806000000      -0.561841000000     R=2.00
35 H      -5.178531000000      -0.644112000000      -1.494094000000     R=1.30
36 C      -3.064488000000      -1.268542000000      -0.228720000000     R=2.00
37 H      -3.347239000000      -1.739728000000      -1.193818000000     R=1.30
38 H      -1.981933000000      -1.108540000000      -0.266387000000     R=1.30
39 H      -7.325659000000       3.846669000000       2.089002000000     R=1.30
40 H      -6.065174000000       4.819343000000       1.335335000000     R=1.30
41 O      -4.290073000000       2.532545000000       3.765395000000     R=1.72
42 H      -0.808539000000      -4.415897000000       3.399080000000     R=1.30
43 H      -6.886320000000      -4.277566000000       1.118743000000     R=1.30
44 H      -5.343133000000       5.174168000000      -3.582622000000     R=1.30
45 H      -3.453354000000       6.413028000000       1.295505000000     R=1.30
46 H      -7.766898000000       5.089740000000       0.880913000000     R=1.30
47 H      -8.842923000000       3.448623000000      -3.515428000000     R=1.30
48 C      -1.648050000000      -3.886161000000       3.874331000000     R=2.00
49 H      -1.223237000000      -2.980516000000       4.331522000000     R=1.30
50 H      -2.061051000000      -4.526445000000       4.663528000000     R=1.30
51 C      -6.354501000000      -4.357851000000       2.076181000000     R=2.00
52 H      -6.312087000000      -5.418889000000       2.359201000000     R=1.30
53 H      -6.963183000000      -3.843159000000       2.836276000000     R=1.30
54 C      -3.180404000000       5.359183000000       1.432487000000     R=2.00
55 H      -3.810482000000       4.927710000000       2.224950000000     R=1.30
56 H      -2.147443000000       5.312483000000       1.810127000000     R=1.30
57 C      -4.242621000000       5.173424000000      -3.519499000000     R=2.00
58 H      -3.912628000000       6.220468000000      -3.561036000000     R=1.30
59 H      -3.865638000000       4.655565000000      -4.411951000000     R=1.30
60 C      -7.972379000000       2.783131000000      -3.584837000000     R=2.00
61 H      -7.252576000000       3.253913000000      -4.273973000000     R=1.30
62 H      -8.291848000000       1.838976000000      -4.046908000000     R=1.30
63 C      -7.028287000000       4.322962000000       1.144238000000     R=2.00
64 O      -0.612605000000       0.301366000000       1.217143000000     R=1.72
65 O      -4.374676000000      -0.077904000000       2.994791000000     R=1.72
66 H      -4.279707000000      -0.738979000000       2.274731000000     R=1.30
67 H      -0.962211000000      -1.262215000000       1.467144000000     R=1.30
68 N       0.712066000000       0.702265000000       1.453839000000     R=1.83
69 C       0.759026000000       2.200761000000       1.395241000000     R=2.00
70 C       1.563348000000       0.112990000000       0.373485000000     R=2.00
71 H       0.392533000000       2.501674000000       0.410442000000     R=1.30
72 H       1.789289000000       2.534722000000       1.556026000000     R=1.30
73 H       0.093834000000       2.584381000000       2.173519000000     R=1.30
74 H       1.170121000000       0.464810000000      -0.583766000000     R=1.30
75 H       1.481845000000      -0.975326000000       0.442241000000     R=1.30
76 H       2.600188000000       0.436241000000       0.514453000000     R=1.30
77 C       1.171976000000       0.215283000000       2.798571000000     R=2.00
78 H       1.065198000000      -0.872898000000       2.810522000000     R=1.30
79 H       0.526369000000       0.662863000000       3.558191000000     R=1.30
80 H       2.215535000000       0.511925000000       2.947108000000     R=1.30
81 O      -2.038214000000       1.151048000000       3.083458000000     R=1.72
82 O      -1.994311000000       0.075453000000       4.073450000000     R=1.72
83 H      -1.441942000000       0.779451000000       2.261760000000     R=1.30
84 H      -2.904474000000      -0.308729000000       3.893799000000     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

