ATOMS
1 O      -4.587224000000      -0.848378000000       0.362031000000     R=1.72
2 C      -4.761268000000      -0.762225000000      -0.988272000000     R=2.00
3 C      -4.172963000000      -1.743572000000      -1.807028000000     R=2.00
4 C      -4.342430000000      -1.639600000000      -3.190172000000     R=2.00
5 C      -5.063490000000      -0.595055000000      -3.785092000000     R=2.00
6 C      -5.636077000000       0.363025000000      -2.942599000000     R=2.00
7 C      -5.499481000000       0.293698000000      -1.554805000000     R=2.00
8 H      -3.793658000000       3.370945000000       0.574133000000     R=1.30
9 H      -3.875346000000      -2.394939000000      -3.828521000000     R=1.30
10 H      -6.195018000000       1.198145000000      -3.373993000000     R=1.30
11 H      -6.751801000000       3.159424000000       1.034516000000     R=1.30
12 V      -2.745472000000       1.886638000000       3.068229000000     R=1.908
13 H      -4.535934000000       3.314232000000      -1.037120000000     R=1.30
14 O      -2.472416000000       1.056331000000       1.458414000000     R=1.72
15 N      -5.196478000000       1.842130000000       0.368932000000     R=1.83
16 O      -4.335094000000       1.024071000000       3.312647000000     R=1.72
17 C      -2.155367000000       1.143347000000       0.161831000000     R=2.00
18 C      -2.938311000000       1.913986000000      -0.729639000000     R=2.00
19 C      -2.605614000000       1.917663000000      -2.083617000000     R=2.00
20 C      -1.544825000000       1.160261000000      -2.591214000000     R=2.00
21 C      -0.795864000000       0.393854000000      -1.688150000000     R=2.00
22 C      -1.077617000000       0.364986000000      -0.321828000000     R=2.00
23 C      -4.130453000000       2.689755000000      -0.217984000000     R=2.00
24 H      -3.229572000000       2.493369000000      -2.771610000000     R=1.30
25 H       0.026115000000      -0.221326000000      -2.064802000000     R=1.30
26 C      -5.659736000000       0.851457000000       3.329647000000     R=2.00
27 C      -6.193614000000      -0.109428000000       4.222346000000     R=2.00
28 C      -7.575077000000      -0.311439000000       4.240252000000     R=2.00
29 C      -8.448308000000       0.394426000000       3.402187000000     R=2.00
30 C      -7.889450000000       1.318753000000       2.510538000000     R=2.00
31 C      -6.515869000000       1.561822000000       2.452268000000     R=2.00
32 H      -7.983194000000      -1.052900000000       4.932642000000     R=1.30
33 H      -8.543074000000       1.869916000000       1.828725000000     R=1.30
34 C      -5.939703000000       2.531462000000       1.449948000000     R=2.00
35 H      -5.236382000000       3.200059000000       1.957067000000     R=1.30
36 C      -6.130217000000       1.315989000000      -0.646059000000     R=2.00
37 H      -6.955401000000       0.841752000000      -0.088514000000     R=1.30
38 H      -6.570072000000       2.139315000000      -1.245063000000     R=1.30
39 H      -4.528228000000      -1.438404000000       4.516462000000     R=1.30
40 H      -4.683397000000      -0.196676000000       5.752114000000     R=1.30
41 O      -3.156878000000       3.442423000000       2.944688000000     R=1.72
42 H      -2.932703000000      -3.499545000000      -1.950011000000     R=1.30
43 H      -5.207146000000      -1.464799000000      -5.765521000000     R=1.30
44 H      -0.223120000000       0.878674000000      -4.285615000000     R=1.30
45 H       0.522097000000      -1.009059000000       0.123552000000     R=1.30
46 H      -5.816967000000      -1.585080000000       5.745979000000     R=1.30
47 H     -10.180855000000      -0.863561000000       3.719993000000     R=1.30
48 C      -3.353806000000      -2.837437000000      -1.182901000000     R=2.00
49 H      -2.529159000000      -2.408404000000      -0.594414000000     R=1.30
50 H      -3.951269000000      -3.444690000000      -0.486407000000     R=1.30
51 C      -5.166115000000      -0.477411000000      -5.284845000000     R=2.00
52 H      -6.060619000000       0.086367000000      -5.583199000000     R=1.30
53 H      -4.293046000000       0.050617000000      -5.702647000000     R=1.30
54 C      -0.305135000000      -0.499161000000       0.633074000000     R=2.00
55 H       0.087132000000       0.094224000000       1.470146000000     R=1.30
56 H      -0.964612000000      -1.259930000000       1.079701000000     R=1.30
57 C      -1.277812000000       1.099426000000      -4.071892000000     R=2.00
58 H      -1.882656000000       0.304009000000      -4.537119000000     R=1.30
59 H      -1.543258000000       2.042306000000      -4.569427000000     R=1.30
60 C      -9.937814000000       0.178609000000       3.470815000000     R=2.00
61 H     -10.394996000000       0.813243000000       4.247114000000     R=1.30
62 H     -10.422944000000       0.428052000000       2.517499000000     R=1.30
63 C      -5.263676000000      -0.878903000000       5.114620000000     R=2.00
64 O      -0.725166000000       1.972407000000       2.916675000000     R=1.72
65 O      -2.267761000000       1.658065000000       4.893453000000     R=1.72
66 O      -2.241211953434       0.295490776306       4.360137871769     R=1.72
67 H      -4.710583000000       0.084002000000       0.714505000000     R=1.30
68 N       0.211244000000       2.713360000000       3.676574000000     R=1.83
69 C       0.746979000000       1.844641000000       4.775633000000     R=2.00
70 C      -0.370003000000       3.977419000000       4.235390000000     R=2.00
71 H       1.154155000000       0.943780000000       4.308888000000     R=1.30
72 H      -0.092134000000       1.595610000000       5.428574000000     R=1.30
73 H       1.527304000000       2.394707000000       5.313272000000     R=1.30
74 H       0.436860000000       4.543245000000       4.712500000000     R=1.30
75 H      -1.139207000000       3.701903000000       4.958707000000     R=1.30
76 H      -0.806826000000       4.536765000000       3.404946000000     R=1.30
77 C       1.305334000000       3.051321000000       2.710697000000     R=2.00
78 H       1.684510000000       2.112492000000       2.299456000000     R=1.30
79 H       2.094865000000       3.596356000000       3.239338000000     R=1.30
80 H       0.867681000000       3.662861000000       1.917677000000     R=1.30
81 H      -1.477773230425       0.319596070379       3.744915893490     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

