ATOMS
1 O      -1.624744000000      -2.059454000000       2.297954000000     R=1.72
2 C      -2.721263000000      -2.707810000000       1.803046000000     R=2.00
3 C      -3.189280000000      -3.783017000000       2.589822000000     R=2.00
4 C      -4.278298000000      -4.522590000000       2.133647000000     R=2.00
5 C      -4.916217000000      -4.244599000000       0.915337000000     R=2.00
6 C      -4.427347000000      -3.178258000000       0.163246000000     R=2.00
7 C      -3.350940000000      -2.380580000000       0.587865000000     R=2.00
8 H      -2.687781000000       0.602245000000      -1.949197000000     R=1.30
9 H      -4.637275000000      -5.352110000000       2.748773000000     R=1.30
10 H      -4.889356000000      -2.952272000000      -0.800599000000     R=1.30
11 H      -5.390902000000      -0.762820000000       0.252968000000     R=1.30
12 V      -3.557056000000       2.248715000000       2.548589000000     R=1.908
13 H      -1.740801000000       1.057849000000      -0.509895000000     R=1.30
14 O      -2.575145000000       3.036053000000       1.136762000000     R=1.72
15 N      -3.525228000000       0.084085000000      -0.069472000000     R=1.83
16 O      -5.082771000000       2.226182000000       1.554371000000     R=1.72
17 C      -3.108700000000       3.402135000000      -0.048033000000     R=2.00
18 C      -3.247610000000       2.457600000000      -1.086127000000     R=2.00
19 C      -3.789594000000       2.877476000000      -2.305878000000     R=2.00
20 C      -4.220265000000       4.189516000000      -2.515725000000     R=2.00
21 C      -4.051086000000       5.109427000000      -1.471877000000     R=2.00
22 C      -3.492963000000       4.746679000000      -0.244956000000     R=2.00
23 C      -2.754855000000       1.040010000000      -0.934205000000     R=2.00
24 H      -3.906690000000       2.141765000000      -3.105791000000     R=1.30
25 H      -4.372582000000       6.144816000000      -1.615433000000     R=1.30
26 C      -5.910541000000       2.186943000000       0.508962000000     R=2.00
27 C      -6.878679000000       3.223150000000       0.420044000000     R=2.00
28 C      -7.757228000000       3.241086000000      -0.658573000000     R=2.00
29 C      -7.711803000000       2.264856000000      -1.662944000000     R=2.00
30 C      -6.758028000000       1.251575000000      -1.545599000000     R=2.00
31 C      -5.847421000000       1.181970000000      -0.484373000000     R=2.00
32 H      -8.493963000000       4.046023000000      -0.722760000000     R=1.30
33 H      -6.705640000000       0.484997000000      -2.322766000000     R=1.30
34 C      -4.953011000000      -0.039430000000      -0.452592000000     R=2.00
35 H      -5.016899000000      -0.507179000000      -1.455252000000     R=1.30
36 C      -2.870043000000      -1.251145000000      -0.289399000000     R=2.00
37 H      -3.013361000000      -1.540856000000      -1.348921000000     R=1.30
38 H      -1.791448000000      -1.088693000000      -0.156477000000     R=1.30
39 H      -6.961450000000       3.842153000000       2.486068000000     R=1.30
40 H      -5.981479000000       4.877024000000       1.457778000000     R=1.30
41 O      -3.920053000000       3.322355000000       3.689872000000     R=1.72
42 H      -1.449046000000      -4.364126000000       3.732925000000     R=1.30
43 H      -6.321437000000      -4.869974000000      -0.605719000000     R=1.30
44 H      -5.991187000000       4.453642000000      -3.715300000000     R=1.30
45 H      -3.739567000000       6.708064000000       0.616861000000     R=1.30
46 H      -7.758807000000       4.959907000000       1.337693000000     R=1.30
47 H      -9.664703000000       2.573454000000      -2.543298000000     R=1.30
48 C      -2.505874000000      -4.100771000000       3.890654000000     R=2.00
49 H      -2.510752000000      -3.228629000000       4.561174000000     R=1.30
50 H      -3.001785000000      -4.937700000000       4.397351000000     R=1.30
51 C      -6.095342000000      -5.061068000000       0.451630000000     R=2.00
52 H      -5.911385000000      -6.138092000000       0.573885000000     R=1.30
53 H      -6.998588000000      -4.819713000000       1.033688000000     R=1.30
54 C      -3.297630000000       5.736024000000       0.869342000000     R=2.00
55 H      -3.742719000000       5.372932000000       1.807843000000     R=1.30
56 H      -2.227447000000       5.883918000000       1.080803000000     R=1.30
57 C      -4.900304000000       4.586568000000      -3.799944000000     R=2.00
58 H      -4.717445000000       5.641353000000      -4.046862000000     R=1.30
59 H      -4.561618000000       3.969610000000      -4.643377000000     R=1.30
60 C      -8.636844000000       2.331555000000      -2.848914000000     R=2.00
61 H      -8.317209000000       3.117615000000      -3.551860000000     R=1.30
62 H      -8.653804000000       1.381977000000      -3.399395000000     R=1.30
63 C      -6.907114000000       4.283865000000       1.480991000000     R=2.00
64 O      -0.485676000000       0.326926000000       1.500902000000     R=1.72
65 O      -3.867099000000       0.224788000000       2.682299000000     R=1.72
66 H      -3.653134000000       0.029679000000       1.709854000000     R=1.30
67 H      -1.384540000000      -1.240642000000       1.801904000000     R=1.30
68 N       0.845668000000       0.335634000000       1.997198000000     R=1.83
69 C       1.367041000000       1.740161000000       1.921133000000     R=2.00
70 C       1.627695000000      -0.567376000000       1.100965000000     R=2.00
71 H       1.294345000000       2.061865000000       0.879116000000     R=1.30
72 H       2.405708000000       1.744298000000       2.265594000000     R=1.30
73 H       0.739155000000       2.365611000000       2.562000000000     R=1.30
74 H       1.544020000000      -0.180157000000       0.082292000000     R=1.30
75 H       1.193509000000      -1.568562000000       1.171474000000     R=1.30
76 H       2.669321000000      -0.570738000000       1.436297000000     R=1.30
77 C       0.865244000000      -0.168754000000       3.412053000000     R=2.00
78 H       0.483319000000      -1.193116000000       3.404670000000     R=1.30
79 H       0.206909000000       0.469797000000       4.009202000000     R=1.30
80 H       1.897356000000      -0.132846000000       3.774100000000     R=1.30
81 O      -1.713960000000       1.817043000000       2.989335000000     R=1.72
82 O      -2.151016000000       1.033942000000       4.131897000000     R=1.72
83 H      -1.081130000000       1.040666000000       2.183916000000     R=1.30
84 H      -3.026597000000       0.200311000000       3.350449000000     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

