ATOMS
1  O        -5.978895    1.461491    1.517514    R=1.72
2  C        -6.457198    0.218212    1.700945    R=2.00
3  C        -7.813781   -0.044700    1.411972    R=2.00
4  C        -8.290183   -1.340723    1.613189    R=2.00
5  C        -7.472466   -2.381028    2.082449    R=2.00
6  C        -6.131770   -2.089930    2.345889    R=2.00
7  C        -5.611346   -0.802401    2.168331    R=2.00
8  H        -1.645118   -0.734404    2.180348    R=1.30
9  H        -9.339549   -1.549270    1.387975    R=1.30
10 H        -5.466083   -2.881702    2.698619    R=1.30
11 H        -4.516769   -1.030781    0.087872    R=1.30
12 Ta       -4.325156    2.396428    1.035528     R=2.025
13 H        -2.050291    0.877737    2.813171    R=1.30
14 O        -2.441227    2.756991    0.602499    R=1.72
15 N        -3.400978    0.160294    1.387153    R=1.83
16 O        -4.531797    1.639787   -0.785870    R=1.72
17 C        -1.277742    2.115126    0.331703    R=2.00
18 C        -1.005337    0.876078    0.935242    R=2.00
19 C         0.188761    0.220901    0.633243    R=2.00
20 C         1.120435    0.767868   -0.256503    R=2.00
21 C         0.819685    2.004093   -0.839388    R=2.00
22 C        -0.366011    2.694736   -0.567807    R=2.00
23 C        -1.990063    0.274149    1.896024    R=2.00
24 H         0.386160   -0.751064    1.092592    R=1.30
25 H         1.527785    2.446784   -1.544830    R=1.30
26 C        -3.615463    1.024407   -1.571781    R=2.00
27 C        -3.278011    1.577511   -2.820945    R=2.00
28 C        -2.284121    0.942369   -3.571400    R=2.00
29 C        -1.628143   -0.213260   -3.125607    R=2.00
30 C        -2.013369   -0.754341   -1.895353    R=2.00
31 C        -2.998131   -0.150132   -1.112447    R=2.00
32 H        -1.997381    1.379836   -4.531571    R=1.30
33 H        -1.516943   -1.652062   -1.518963    R=1.30
34 C        -3.459461   -0.745024    0.186184    R=2.00
35 H        -2.888132   -1.660925    0.413102    R=1.30
36 C        -4.179311   -0.499250    2.499334    R=2.00
37 H        -3.666235   -1.435751    2.775912    R=1.30
38 H        -4.113116    0.177587    3.364799    R=1.30
39 H        -5.037880    2.654435   -3.463473    R=1.30
40 H        -3.893870    3.627460   -2.543753    R=1.30
41 O        -5.266143    3.985577    0.518783    R=1.72
42 H        -8.720865    1.904815    1.596401    R=1.30
43 H        -7.233518   -4.497994    2.459364    R=1.30
44 H         2.162814   -0.804878   -1.310078    R=1.30
45 H         0.146215    4.361790   -1.831784    R=1.30
46 H        -3.521764    3.186862   -4.233451    R=1.30
47 H        -0.596595   -0.616477   -4.988601    R=1.30
48 C        -8.690570    1.059256    0.893172    R=2.00
49 H        -8.299847    1.457871   -0.054882    R=1.30
50 H        -9.714715    0.703167    0.728273    R=1.30
51 C        -8.033270   -3.763042    2.300184    R=2.00
52 H        -8.691577   -3.789371    3.182564    R=1.30
53 H        -8.634740   -4.090762    1.440126    R=1.30
54 C        -0.699186    3.997638   -1.235258    R=2.00
55 H        -1.566481    3.876200   -1.901285    R=1.30
56 H        -0.973283    4.768243   -0.500454    R=1.30
57 C         2.379611    0.020510   -0.613246    R=2.00
58 H         3.111935    0.678694   -1.098856    R=1.30
59 H         2.851710   -0.422747    0.274964    R=1.30
60 C        -0.492191   -0.813229   -3.913014    R=2.00
61 H         0.469890   -0.382217   -3.591061    R=1.30
62 H        -0.427647   -1.899975   -3.765398    R=1.30
63 C        -3.963760    2.827629   -3.295895    R=2.00
64 C        -6.335962    4.180879   -0.394735    R=2.00
65 H        -6.369019    5.238543   -0.692251    R=1.30
66 H        -7.289847    3.912501    0.085577    R=1.30
67 H        -6.202594    3.551876   -1.289045    R=1.30
68 H        -2.683427    3.909828    2.637750    R=1.30
69 O        -3.662249    3.877152    2.737939    R=1.72
70 O        -3.895179    2.448433    3.031825    R=1.72
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

