ATOMS
1  O        -5.864443    1.504020    1.551956    R=1.72
2  C        -6.379381    0.284847    1.703169    R=2.00
3  C        -7.744279    0.084519    1.378251    R=2.00
4  C        -8.283082   -1.187502    1.556201    R=2.00
5  C        -7.523013   -2.267050    2.037570    R=2.00
6  C        -6.175256   -2.041604    2.333903    R=2.00
7  C        -5.589935   -0.781808    2.179362    R=2.00
8  H        -1.575081   -0.790042    2.169102    R=1.30
9  H        -9.334282   -1.348417    1.302798    R=1.30
10 H        -5.556199   -2.867485    2.693133    R=1.30
11 H        -4.466919   -1.149401    0.140245    R=1.30
12 V        -4.298477    2.302326    0.995959    R=1.908
13 H        -2.018001    0.798857    2.834861    R=1.30
14 O        -2.555901    2.644330    0.492605    R=1.72
15 N        -3.359048    0.073924    1.413318    R=1.83
16 O        -4.619700    1.463799   -0.672892    R=1.72
17 C        -1.357043    2.069059    0.298820    R=2.00
18 C        -1.010105    0.865987    0.945875    R=2.00
19 C         0.236727    0.298150    0.691341    R=2.00
20 C         1.156050    0.893792   -0.181514    R=2.00
21 C         0.789504    2.095566   -0.799184    R=2.00
22 C        -0.451343    2.698348   -0.584422    R=2.00
23 C        -1.960836    0.211764    1.907716    R=2.00
24 H         0.492114   -0.645165    1.180755    R=1.30
25 H         1.490093    2.577876   -1.485621    R=1.30
26 C        -3.677621    0.943890   -1.482652    R=2.00
27 C        -3.382895    1.555199   -2.718151    R=2.00
28 C        -2.373113    0.989723   -3.501657    R=2.00
29 C        -1.656835   -0.147726   -3.101342    R=2.00
30 C        -1.997393   -0.747745   -1.883630    R=2.00
31 C        -2.997765   -0.215210   -1.072702    R=2.00
32 H        -2.121616    1.468173   -4.452187    R=1.30
33 H        -1.451939   -1.631362   -1.542910    R=1.30
34 C        -3.415937   -0.837399    0.225498    R=2.00
35 H        -2.815465   -1.739724    0.437011    R=1.30
36 C        -4.150182   -0.543742    2.524935    R=2.00
37 H        -3.681358   -1.500837    2.816518    R=1.30
38 H        -4.065161    0.138624    3.383196    R=1.30
39 H        -5.208287    2.572577   -3.267668    R=1.30
40 H        -4.061384    3.572490   -2.374197    R=1.30
41 O        -5.092806    3.838567    0.416210    R=1.72
42 H        -8.605185    2.050618    1.588655    R=1.30
43 H        -7.391522   -4.393928    2.407607    R=1.30
44 H         2.342614   -0.611700   -1.173521    R=1.30
45 H        -0.010775    4.382334   -1.850792    R=1.30
46 H        -3.747644    3.182090   -4.086016    R=1.30
47 H        -0.630159   -0.431644   -4.988439    R=1.30
48 C        -8.550339    1.236086    0.851030    R=2.00
49 H        -8.078093    1.662732   -0.046225    R=1.30
50 H        -9.570345    0.921290    0.599668    R=1.30
51 C        -8.151304   -3.621808    2.230793    R=2.00
52 H        -8.834629   -3.620089    3.094481    R=1.30
53 H        -8.744764   -3.915457    1.353006    R=1.30
54 C        -0.850372    3.965828   -1.281162    R=2.00
55 H        -1.681715    3.774639   -1.975309    R=1.30
56 H        -1.206872    4.722043   -0.567257    R=1.30
57 C         2.476105    0.233610   -0.479536    R=2.00
58 H         3.179456    0.935860   -0.945482    R=1.30
59 H         2.940635   -0.168500    0.431825    R=1.30
60 C        -0.507296   -0.669204   -3.923191    R=2.00
61 H         0.440548   -0.214580   -3.591313    R=1.30
62 H        -0.399134   -1.757691   -3.821241    R=1.30
63 C        -4.136082    2.785288   -3.139794    R=2.00
64 O        -3.757142    2.354709    2.834561    R=1.72
65 H        -2.702771    3.894917    2.414279    R=1.30
66 O        -3.647542    3.783409    2.672965    R=1.72
67 H        -5.587945    3.659811   -0.406622    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



AnalyticalFreq
End

NumericalQuality Good

NOPRINT LOGFILE

