ATOMS
1  O        -3.774467    0.568328    2.926865    R=1.72
2  C        -4.312419   -0.653507    3.017842    R=2.00
3  C        -5.422238   -0.840485    3.877117    R=2.00
4  C        -5.972678   -2.116182    3.989977    R=2.00
5  C        -5.475256   -3.218482    3.276177    R=2.00
6  C        -4.383293   -3.004627    2.434213    R=2.00
7  C        -3.784315   -1.744291    2.300825    R=2.00
8  H        -1.067580   -1.569000   -0.546043    R=1.30
9  H        -6.825932   -2.256313    4.659350    R=1.30
10 H        -3.968531   -3.842087    1.866831    R=1.30
11 H        -4.520143   -0.912537    0.179009    R=1.30
12 Ta       -2.615451    1.682365    1.786830     R=2.025
13 H        -0.433869   -0.375100    0.612301    R=1.30
14 O        -1.583382    2.200444    0.164702    R=1.72
15 N        -2.521840   -0.442999    0.522538    R=1.83
16 O        -4.242570    1.844675    0.605541    R=1.72
17 C        -1.227239    1.788693   -1.068024    R=2.00
18 C        -1.004108    0.424031   -1.303043    R=2.00
19 C        -0.630176   -0.003986   -2.578006    R=2.00
20 C        -0.470067    0.901992   -3.630981    R=2.00
21 C        -0.690433    2.260533   -3.364342    R=2.00
22 C        -1.067495    2.730224   -2.103785    R=2.00
23 C        -1.190928   -0.537984   -0.172065    R=2.00
24 H        -0.478855   -1.072141   -2.754375    R=1.30
25 H        -0.575787    2.986190   -4.174316    R=1.30
26 C        -4.365617    1.717562   -0.729424    R=2.00
27 C        -4.821600    2.797459   -1.511775    R=2.00
28 C        -4.882994    2.628274   -2.898428    R=2.00
29 C        -4.516995    1.430694   -3.527813    R=2.00
30 C        -4.104593    0.365863   -2.720629    R=2.00
31 C        -4.024970    0.494982   -1.333746    R=2.00
32 H        -5.209353    3.472879   -3.511901    R=1.30
33 H        -3.807104   -0.579242   -3.181869    R=1.30
34 C        -3.653434   -0.658213   -0.449113    R=2.00
35 H        -3.414667   -1.545871   -1.059883    R=1.30
36 C        -2.541364   -1.600256    1.473016    R=2.00
37 H        -2.388039   -2.529334    0.896495    R=1.30
38 H        -1.663004   -1.460316    2.117738    R=1.30
39 H        -6.100320    3.970661   -0.222864    R=1.30
40 H        -4.403762    4.437956   -0.173596    R=1.30
41 O        -3.242879    3.266981    2.676042    R=1.72
42 H        -5.177534    0.809985    5.242188    R=1.30
43 H        -5.521844   -5.348193    2.900727    R=1.30
44 H        -1.027733    0.358679   -5.648358    R=1.30
45 H        -1.088696    4.795994   -2.713941    R=1.30
46 H        -5.401993    4.872553   -1.590904    R=1.30
47 H        -5.206299    2.008213   -5.500117    R=1.30
48 C        -5.966212    0.330676    4.643379    R=2.00
49 H        -6.348448    1.103923    3.960513    R=1.30
50 H        -6.779389    0.020830    5.311125    R=1.30
51 C        -6.115754   -4.576446    3.407554    R=2.00
52 H        -6.224342   -4.867198    4.462782    R=1.30
53 H        -7.124635   -4.585983    2.966599    R=1.30
54 C        -1.333551    4.183176   -1.837566    R=2.00
55 H        -2.393885    4.338631   -1.589645    R=1.30
56 H        -0.753579    4.545817   -0.976376    R=1.30
57 C        -0.124700    0.432074   -5.021011    R=2.00
58 H         0.561733    1.127994   -5.523390    R=1.30
59 H         0.344201   -0.560899   -5.004159    R=1.30
60 C        -4.494941    1.315481   -5.030214    R=2.00
61 H        -3.492911    1.556422   -5.421604    R=1.30
62 H        -4.736303    0.295982   -5.361895    R=1.30
63 C        -5.201352    4.091010   -0.847200    R=2.00
64 O        -1.087655    0.930458    2.963214    R=1.72
65 H        -0.112083    2.446488    1.773938    R=1.30
66 O        -0.741302    2.590970    2.510901    R=1.72
67 C        -4.563386    3.674242    2.992295    R=2.00
68 S        -1.328183   -0.623825    4.602496    R=2.16
69 C        -1.252856   -2.443950    4.593164    R=2.00
70 C         0.406416   -0.285888    4.984415    R=2.00
71 H         0.655688   -0.711589    5.963981    R=1.30
72 H         0.516112    0.802520    5.002928    R=1.30
73 H         1.052233   -0.709566    4.205546    R=1.30
74 H        -0.952114   -2.795067    5.588963    R=1.30
75 H        -0.538952   -2.803575    3.840812    R=1.30
76 H        -2.259259   -2.807543    4.357720    R=1.30
77 H        -4.560158    4.746114    3.238250    R=1.30
78 H        -4.934163    3.105813    3.859371    R=1.30
79 H        -5.236523    3.493253    2.139604    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

