ATOMS
1  O        -5.994877    1.339951    1.617211   R=1.72
2  C        -6.520669    0.098360    1.684646   R=2.00
3  C        -7.877532   -0.098767    1.362203   R=2.00
4  C        -8.383525   -1.397483    1.444444   R=2.00
5  C        -7.592875   -2.493561    1.823919   R=2.00
6  C        -6.247339   -2.260677    2.121429   R=2.00
7  C        -5.699046   -0.974548    2.063081   R=2.00
8  H        -1.741594   -0.975857    2.122586   R=1.30
9  H        -9.434932   -1.561684    1.194285   R=1.30
10 H        -5.603418   -3.096207    2.406491   R=1.30
11 H        -4.591621   -1.044167   -0.029708   R=1.30
12 Ta       -4.332654    2.248824    1.192874    R=2.025
13 H        -2.108561    0.591861    2.862567  R=1.30
14 O        -2.416217    2.639249    0.779007  R=1.72
15 N        -3.464889    0.013113    1.373690  R=1.83
16 O        -4.507285    1.692971   -0.704686   R=1.72
17 C        -1.271849    1.974054    0.463247  R=2.00
18 C        -1.045899    0.692269    0.992800  R=2.00
19 C         0.126181    0.011847    0.659331  R=2.00
20 C         1.080912    0.572775   -0.194624  R=2.00
21 C         0.822537    1.846726   -0.712112  R=2.00
22 C        -0.337848    2.565598   -0.406918   R=2.00
23 C        -2.055986    0.057997    1.903106  R=2.00
24 H         0.284876   -0.991062    1.063744  R=1.30
25 H         1.544621    2.298405   -1.397297  R=1.30
26 C        -3.611725    1.107175   -1.533885   R=2.00
27 C        -3.247993    1.732312   -2.740012   R=2.00
28 C        -2.267189    1.118202   -3.524063   R=2.00
29 C        -1.652053   -0.085233   -3.152500   R=2.00
30 C        -2.065163   -0.696869   -1.964850    R=2.00
31 C        -3.036533   -0.115401   -1.148772    R=2.00
32 H        -1.957696    1.609525   -4.450400    R=1.30
33 H        -1.600446   -1.633883   -1.648640    R=1.30
34 C        -3.529132   -0.791854    0.099611    R=2.00
35 H        -2.981908   -1.734989    0.262054   R=1.30
36 C        -4.265253   -0.719686    2.427034   R=2.00
37 H        -3.766245   -1.680301    2.635163   R=1.30
38 H        -4.201497   -0.105210    3.337282   R=1.30
39 H        -4.970861    2.908003   -3.303428   R=1.30
40 H        -3.788180    3.783181   -2.333715   R=1.30
41 O        -5.140371    3.974824    0.818620   R=1.72
42 H        -8.738768    1.849363    1.710613   R=1.30
43 H        -7.406913   -4.639675    2.023614   R=1.30
44 H         2.086381   -0.909224   -1.403842   R=1.30
45 H         0.099943    4.125667   -1.820494   R=1.30
46 H        -3.440061    3.434877   -4.047791   R=1.30
47 H        -0.628811   -0.413817   -5.034599    R=1.30
48 C        -8.722256    1.068099    0.936309   R=2.00
49 H        -8.314908    1.536503    0.027910   R=1.30
50 H        -9.753092    0.753462    0.734112   R=1.30
51 C        -8.187250   -3.875668    1.913056   R=2.00
52 H        -8.863667   -3.960554    2.777668   R=1.30
53 H        -8.778161   -4.114871    1.017335   R=1.30
54 C        -0.603261    3.917311   -1.005070   R=2.00
55 H        -1.626747    3.977552   -1.398138   R=1.30
56 H        -0.505384    4.721863   -0.259975   R=1.30
57 C         2.313248   -0.197201   -0.594087   R=2.00
58 H         3.103590    0.472696   -0.957525   R=1.30
59 H         2.715017   -0.779789    0.246552   R=1.30
60 C        -0.528224   -0.666390   -3.970393    R=2.00
61 H         0.441457   -0.269359   -3.628314    R=1.30
62 H        -0.484016   -1.759970   -3.876857    R=1.30
63 C        -3.890758    3.033011   -3.132128   R=2.00
64 C        -6.213732    4.290044   -0.073390   R=2.00
65 H        -6.251383    5.377660   -0.222285   R=1.30
66 H        -7.165332    3.953628    0.363289   R=1.30
67 H        -6.065031    3.789374   -1.041752   R=1.30
68 O        -3.882441    2.565370    3.030814   R=1.72
69 C        -2.841936    2.913434    3.916007   R=2.00
70 H        -2.788768    2.188958    4.743426   R=1.30
71 H        -3.032642    3.913804    4.330989   R=1.30
72 H        -1.872250    2.932450    3.390932   R=1.30
73 O        -3.155013    5.921352    0.641989   R=1.72
74 O        -2.322757    5.358606    1.713682   R=1.72
75 H        -2.123985    4.463740    1.343051   R=1.30
76 H        -3.968761    5.359774    0.735791   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

