ATOMS
1 O      -0.957967000000      -0.120549000000       1.410607000000     R=1.72
2 C      -1.059124000000      -1.479215000000       1.348605000000     R=2.00
3 C      -0.352744000000      -2.281112000000       2.259497000000     R=2.00
4 C      -0.486858000000      -3.668081000000       2.141455000000     R=2.00
5 C      -1.302680000000      -4.268932000000       1.170823000000     R=2.00
6 C      -1.994294000000      -3.434619000000       0.284005000000     R=2.00
7 C      -1.873150000000      -2.045226000000       0.353831000000     R=2.00
8 H      -3.514062000000       0.576975000000      -2.035704000000     R=1.30
9 H       0.060491000000      -4.303604000000       2.842998000000     R=1.30
10 H      -2.634070000000      -3.873127000000      -0.486355000000     R=1.30
11 H      -3.968467000000      -1.142454000000       1.415985000000     R=1.30
12 V      -2.040974000000       3.024722000000       2.038173000000     R=1.908
13 H      -2.389751000000       1.659109000000      -1.175584000000     R=1.30
14 O      -3.328057000000       3.363034000000       0.752782000000     R=1.72
15 N      -3.128361000000       0.090292000000      -0.002959000000     R=1.83
16 O      -3.176898000000       1.618928000000       2.686483000000     R=1.72
17 C      -4.400658000000       3.156067000000      -0.005117000000     R=2.00
18 C      -4.479514000000       2.072484000000      -0.907576000000     R=2.00
19 C      -5.647810000000       1.900118000000      -1.654043000000     R=2.00
20 C      -6.748542000000       2.752636000000      -1.523000000000     R=2.00
21 C      -6.639538000000       3.827738000000      -0.631187000000     R=2.00
22 C      -5.490754000000       4.054411000000       0.124458000000     R=2.00
23 C      -3.340459000000       1.109889000000      -1.085266000000     R=2.00
24 H      -5.703820000000       1.057029000000      -2.347510000000     R=1.30
25 H      -7.485538000000       4.510269000000      -0.512647000000     R=1.30
26 C      -4.514500000000       1.516015000000       2.561583000000     R=2.00
27 C      -5.349149000000       2.254472000000       3.437809000000     R=2.00
28 C      -6.735815000000       2.185551000000       3.284145000000     R=2.00
29 C      -7.333874000000       1.394398000000       2.299058000000     R=2.00
30 C      -6.494027000000       0.624571000000       1.490640000000     R=2.00
31 C      -5.099889000000       0.653561000000       1.601892000000     R=2.00
32 H      -7.366386000000       2.778809000000       3.952527000000     R=1.30
33 H      -6.937638000000      -0.010883000000       0.719798000000     R=1.30
34 C      -4.330387000000      -0.338754000000       0.754282000000     R=2.00
35 H      -5.050702000000      -0.810909000000       0.059232000000     R=1.30
36 C      -2.518098000000      -1.114452000000      -0.640361000000     R=2.00
37 H      -3.264683000000      -1.649754000000      -1.256592000000     R=1.30
38 H      -1.741303000000      -0.735864000000      -1.325122000000     R=1.30
39 H      -4.036746000000       2.496201000000       5.130947000000     R=1.30
40 H      -4.132605000000       3.917741000000       4.107636000000     R=1.30
41 O      -2.089698000000       4.352110000000       2.944694000000     R=1.72
42 H       1.292984000000      -1.015041000000       2.864742000000     R=1.30
43 H      -1.817725000000      -6.093967000000       0.127128000000     R=1.30
44 H      -8.713405000000       1.874032000000      -1.676909000000     R=1.30
45 H      -6.260383000000       5.849151000000       1.035207000000     R=1.30
46 H      -5.505655000000       3.513327000000       5.175848000000     R=1.30
47 H      -9.364371000000       1.683704000000       2.994523000000     R=1.30
48 C       0.504226000000      -1.637931000000       3.313836000000     R=2.00
49 H      -0.091715000000      -0.970948000000       3.955616000000     R=1.30
50 H       0.981227000000      -2.394055000000       3.949366000000     R=1.30
51 C      -1.450532000000      -5.768513000000       1.109524000000     R=2.00
52 H      -0.493715000000      -6.273387000000       1.303133000000     R=1.30
53 H      -2.165684000000      -6.129551000000       1.865590000000     R=1.30
54 C      -5.392056000000       5.182748000000       1.108006000000     R=2.00
55 H      -5.339343000000       4.787741000000       2.133871000000     R=1.30
56 H      -4.473154000000       5.766481000000       0.955954000000     R=1.30
57 C      -8.027114000000       2.495048000000      -2.275546000000     R=2.00
58 H      -8.554547000000       3.430570000000      -2.506704000000     R=1.30
59 H      -7.840483000000       1.960632000000      -3.216753000000     R=1.30
60 C      -8.823674000000       1.406349000000       2.079414000000     R=2.00
61 H      -9.094637000000       2.139267000000       1.301627000000     R=1.30
62 H      -9.191696000000       0.426650000000       1.743991000000     R=1.30
63 C      -4.731770000000       3.092317000000       4.521482000000     R=2.00
64 O      -0.848958000000       3.385354000000       0.472811000000     R=1.72
65 O      -0.699682000000       2.107736000000       2.895172000000     R=1.72
66 H      -0.720480000000       1.162122000000       2.601046000000     R=1.30
67 H      -1.822393000000       0.224322000000       0.927803000000     R=1.30
68 N       0.548957000000       3.621116000000       0.494375000000     R=1.83
69 C       1.288201000000       2.317398000000       0.520292000000     R=2.00
70 C       0.944738000000       4.482757000000       1.656445000000     R=2.00
71 H       1.050688000000       1.823677000000       1.463469000000     R=1.30
72 H       2.360955000000       2.522016000000       0.436084000000     R=1.30
73 H       0.931093000000       1.722150000000      -0.323738000000     R=1.30
74 H       0.758123000000       3.919212000000       2.572775000000     R=1.30
75 H       0.324843000000       5.382487000000       1.624535000000     R=1.30
76 H       2.006015000000       4.731699000000       1.554252000000     R=1.30
77 C       0.831624000000       4.341540000000      -0.787599000000     R=2.00
78 H       0.263306000000       5.275034000000      -0.775115000000     R=1.30
79 H       0.493769000000       3.702072000000      -1.606827000000     R=1.30
80 H       1.907150000000       4.535978000000      -0.857509000000     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

