ATOMS
1  O        -5.809742    1.226035    1.035541   R=1.72
2  C        -6.343373    0.122334    1.563627   R=2.00
3  C        -7.748230   -0.045673    1.456563   R=2.00
4  C        -8.315213   -1.205270    1.976189   R=2.00
5  C        -7.543871   -2.209301    2.585770   R=2.00
6  C        -6.161207   -2.020889    2.663798   R=2.00
7  C        -5.542950   -0.867238    2.172370   R=2.00
8  H        -1.527696   -1.087705    1.517927   R=1.30
9  H        -9.397269   -1.337703    1.898243   R=1.30
10 H        -5.539554   -2.793736    3.122188   R=1.30
11 H        -4.708462   -0.932629   -0.131951   R=1.30
12 V        -4.232578    2.147804    0.945998   R=1.908
13 H        -1.837964    0.305638    2.580157   R=1.30
14 O        -2.423009    2.641255    1.325370   R=1.72
15 N        -3.357214   -0.046537    1.194056   R=1.83
16 O        -3.837841    1.831793   -0.837642   R=1.72
17 C        -1.342568    2.195884    0.632000   R=2.00
18 C        -1.035397    0.828925    0.676519   R=2.00
19 C         0.047198    0.348003   -0.059534   R=2.00
20 C         0.824191    1.206954   -0.844280   R=2.00
21 C         0.505053    2.572138   -0.848365   R=2.00
22 C        -0.569264    3.095130   -0.122001   R=2.00
23 C        -1.894771   -0.047410    1.539877   R=2.00
24 H         0.267180   -0.722030   -0.044771   R=1.30
25 H         1.104237    3.255891   -1.455593   R=1.30
26 C        -3.174536    1.000536   -1.647571   R=2.00
27 C        -2.639843    1.496969   -2.859979   R=2.00
28 C        -1.952510    0.610368   -3.687507   R=2.00
29 C        -1.770530   -0.740597   -3.355135   R=2.00
30 C        -2.313291   -1.201685   -2.150724   R=2.00
31 C        -3.009310   -0.353025   -1.291273   R=2.00
32 H        -1.532819    0.989324   -4.622899   R=1.30
33 H        -2.177964   -2.247415   -1.863428   R=1.30
34 C        -3.615365   -0.872968   -0.022668   R=2.00
35 H        -3.254737   -1.899982    0.164588   R=1.30
36 C        -4.059945   -0.689151    2.345568   R=2.00
37 H        -3.605284   -1.678506    2.532002   R=1.30
38 H        -3.857480   -0.061213    3.223694   R=1.30
39 H        -3.868613    3.236335   -3.213833   R=1.30
40 H        -2.311642    3.581507   -2.457601   R=1.30
41 O        -4.882148    3.803797    0.548323   R=1.72
42 H        -8.441363    1.988751    1.302836   R=1.30
43 H        -7.451004   -4.175626    3.481285   R=1.30
44 H         1.533292    0.386736   -2.705863   R=1.30
45 H        -0.361195    5.090322   -0.912390   R=1.30
46 H        -2.376233    3.169141   -4.190207   R=1.30
47 H        -1.081353   -1.383614   -5.303541   R=1.30
48 C        -8.569012    1.022197    0.793810   R=2.00
49 H        -8.248058    1.175983   -0.247092   R=1.30
50 H        -9.633220    0.757897    0.798763   R=1.30
51 C        -8.197086   -3.448557    3.136513   R=2.00
52 H        -8.850500   -3.203954    3.988029   R=1.30
53 H        -8.828238   -3.935180    2.378432   R=1.30
54 C        -0.914674    4.557479   -0.129323   R=2.00
55 H        -1.992732    4.706492   -0.285615   R=1.30
56 H        -0.676524    5.025667    0.838205   R=1.30
57 C         1.928261    0.668157   -1.716136   R=2.00
58 H         2.717189    1.414724   -1.878456   R=1.30
59 H         2.385073   -0.230320   -1.279737   R=1.30
60 C        -0.969793   -1.653778   -4.244764   R=2.00
61 H         0.103947   -1.589895   -4.004450   R=1.30
62 H        -1.270303   -2.702490   -4.119581   R=1.30
63 C        -2.807381    2.946968   -3.206636   R=2.00
64 O        -4.393796    2.275011    2.792335   R=1.72
65 O        -3.312411    2.574994    3.666018   R=1.72
66 H        -2.599874    2.764328    2.981190   R=1.30
67 H        -4.824482    3.983884   -0.409628   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

ScanFreq -1000 0 

NumericalQuality Good

NOPRINT LOGFILE

