ATOMS
1 O      -6.913663000000       1.010489000000       1.693762000000     R=1.72
2 C      -6.883786000000      -0.367921000000       1.846900000000     R=2.00
3 C      -8.033430000000      -1.126039000000       1.577378000000     R=2.00
4 C      -7.947446000000      -2.511282000000       1.729258000000     R=2.00
5 C      -6.761985000000      -3.145618000000       2.123137000000     R=2.00
6 C      -5.650810000000      -2.343847000000       2.389267000000     R=2.00
7 C      -5.683184000000      -0.947825000000       2.260295000000     R=2.00
8 H      -1.965509000000      -0.865714000000       2.070999000000     R=1.30
9 H      -8.836585000000      -3.112029000000       1.523228000000     R=1.30
10 H      -4.720262000000      -2.810088000000       2.719777000000     R=1.30
11 H      -4.975063000000      -0.432955000000       0.068192000000     R=1.30
12 V      -3.589226000000       3.287403000000       0.831105000000     R=1.908
13 H      -2.144194000000       0.728509000000       2.846753000000     R=1.30
14 O      -1.881793000000       2.988501000000       1.515540000000     R=1.72
15 N      -3.609106000000       0.328604000000       1.429583000000     R=1.83
16 O      -3.485605000000       2.356436000000      -0.693009000000     R=1.72
17 C      -1.035907000000       2.170122000000       0.828571000000     R=2.00
18 C      -1.159300000000       0.774883000000       0.957218000000     R=2.00
19 C      -0.290511000000      -0.051145000000       0.238760000000     R=2.00
20 C       0.674839000000       0.473201000000      -0.624653000000     R=2.00
21 C       0.779139000000       1.867733000000      -0.724606000000     R=2.00
22 C      -0.054331000000       2.734322000000      -0.012349000000     R=2.00
23 C      -2.198762000000       0.202617000000       1.881451000000     R=2.00
24 H      -0.395465000000      -1.134680000000       0.337372000000     R=1.30
25 H       1.531307000000       2.298997000000      -1.390925000000     R=1.30
26 C      -3.168381000000       1.323476000000      -1.492758000000     R=2.00
27 C      -2.655535000000       1.659999000000      -2.771899000000     R=2.00
28 C      -2.236928000000       0.634199000000      -3.613538000000     R=2.00
29 C      -2.308683000000      -0.712268000000      -3.225966000000     R=2.00
30 C      -2.823978000000      -1.006803000000      -1.962060000000     R=2.00
31 C      -3.256294000000      -0.014658000000      -1.075531000000     R=2.00
32 H      -1.823367000000       0.889933000000      -4.592025000000     R=1.30
33 H      -2.871064000000      -2.048830000000      -1.636459000000     R=1.30
34 C      -3.885292000000      -0.460290000000       0.217830000000     R=2.00
35 H      -3.628017000000      -1.529760000000       0.362331000000     R=1.30
36 C      -4.458307000000      -0.134312000000       2.590804000000     R=2.00
37 H      -3.833393000000      -0.772387000000       3.236950000000     R=1.30
38 H      -4.716118000000       0.755043000000       3.184759000000     R=1.30
39 H      -3.473837000000       3.639067000000      -3.056862000000     R=1.30
40 H      -1.811768000000       3.613125000000      -2.477794000000     R=1.30
41 O      -3.627512000000       4.850121000000       0.459084000000     R=1.72
42 H      -9.645888000000       0.294864000000       1.877630000000     R=1.30
43 H      -5.727457000000      -4.967880000000       2.656172000000     R=1.30
44 H       1.039823000000      -0.657702000000      -2.422863000000     R=1.30
45 H       0.806640000000       4.510897000000      -0.878425000000     R=1.30
46 H      -2.152999000000       3.207267000000      -4.180410000000     R=1.30
47 H      -2.188050000000      -1.676026000000      -5.157426000000     R=1.30
48 C      -9.304350000000      -0.449294000000       1.139296000000     R=2.00
49 H      -9.180004000000       0.069527000000       0.175262000000     R=1.30
50 H     -10.112100000000      -1.180474000000       1.019464000000     R=1.30
51 C      -6.698324000000      -4.645044000000       2.259565000000     R=2.00
52 H      -7.484096000000      -5.017094000000       2.933092000000     R=1.30
53 H      -6.847573000000      -5.137782000000       1.287014000000     R=1.30
54 C       0.061612000000       4.228298000000      -0.124310000000     R=2.00
55 H      -0.904584000000       4.683181000000      -0.390515000000     R=1.30
56 H       0.351135000000       4.675469000000       0.838359000000     R=1.30
57 C       1.536273000000      -0.433727000000      -1.464629000000     R=2.00
58 H       2.505131000000       0.027827000000      -1.697895000000     R=1.30
59 H       1.721223000000      -1.393124000000      -0.962723000000     R=1.30
60 C      -1.804145000000      -1.800375000000      -4.134823000000     R=2.00
61 H      -0.704839000000      -1.774729000000      -4.202056000000     R=1.30
62 H      -2.094550000000      -2.794500000000      -3.772538000000     R=1.30
63 C      -2.517689000000       3.105045000000      -3.151517000000     R=2.00
64 O      -4.426405000000       3.117003000000       2.527018000000     R=1.72
65 O      -5.359969000000       3.014311000000       1.418349000000     R=1.72
66 H      -5.759725000000       2.081075000000       1.484533000000     R=1.30
67 H      -7.824016000000       1.308260000000       1.510736000000     R=1.30
END

SOLVATION
    Surf Esurf
    Solvent 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

