ATOMS
1 O      -3.921774000000       0.862102000000       2.986099000000     R=1.72
2 C      -4.436710000000      -0.371048000000       3.139088000000     R=2.00
3 C      -5.633262000000      -0.529079000000       3.870464000000     R=2.00
4 C      -6.143894000000      -1.818707000000       4.025694000000     R=2.00
5 C      -5.517084000000      -2.949260000000       3.478311000000     R=2.00
6 C      -4.343970000000      -2.754689000000       2.745647000000     R=2.00
7 C      -3.789962000000      -1.481836000000       2.571093000000     R=2.00
8 H      -0.978968000000      -1.384592000000      -0.222244000000     R=1.30
9 H      -7.070881000000      -1.945918000000       4.591315000000     R=1.30
10 H      -3.838694000000      -3.613961000000       2.297463000000     R=1.30
11 H      -4.465130000000      -0.920213000000       0.368146000000     R=1.30
12 Ta      -2.836594000000       1.922855000000       1.752549000000     R=2.025
13 H      -0.440707000000      -0.114825000000       0.904051000000     R=1.30
14 O      -1.697583000000       2.436625000000       0.226271000000     R=1.72
15 N      -2.516637000000      -0.276799000000       0.736514000000     R=1.83
16 O      -4.370747000000       1.887502000000       0.494117000000     R=1.72
17 C      -1.219635000000       1.945902000000      -0.943111000000     R=2.00
18 C      -0.942682000000       0.574386000000      -1.067391000000     R=2.00
19 C      -0.464279000000       0.083856000000      -2.283389000000     R=2.00
20 C      -0.255056000000       0.924703000000      -3.381606000000     R=2.00
21 C      -0.538258000000       2.286827000000      -3.225029000000     R=2.00
22 C      -1.021266000000       2.820969000000      -2.026571000000     R=2.00
23 C      -1.155767000000      -0.344354000000       0.100474000000     R=2.00
24 H      -0.267364000000      -0.987146000000      -2.377657000000     R=1.30
25 H      -0.390788000000       2.962219000000      -4.071944000000     R=1.30
26 C      -4.403734000000       1.602855000000      -0.829474000000     R=2.00
27 C      -4.853542000000       2.572407000000      -1.745229000000     R=2.00
28 C      -4.812245000000       2.256064000000      -3.106316000000     R=2.00
29 C      -4.349566000000       1.019842000000      -3.577652000000     R=2.00
30 C      -3.944153000000       0.068060000000      -2.637159000000     R=2.00
31 C      -3.965396000000       0.343694000000      -1.269223000000     R=2.00
32 H      -5.135683000000       3.012492000000      -3.826596000000     R=1.30
33 H      -3.574316000000      -0.903208000000      -2.974666000000     R=1.30
34 C      -3.582657000000      -0.683861000000      -0.244219000000     R=2.00
35 H      -3.262864000000      -1.616953000000      -0.738403000000     R=1.30
36 C      -2.492920000000      -1.301077000000       1.842541000000     R=2.00
37 H      -2.183401000000      -2.268562000000       1.410914000000     R=1.30
38 H      -1.711217000000      -0.989154000000       2.552502000000     R=1.30
39 H      -6.247710000000       3.800671000000      -0.642022000000     R=1.30
40 H      -4.585389000000       4.379618000000      -0.595669000000     R=1.30
41 O      -3.447330000000       3.583234000000       2.500075000000     R=1.72
42 H      -5.647639000000       1.222706000000       5.130775000000     R=1.30
43 H      -5.629992000000      -5.059277000000       3.013575000000     R=1.30
44 H      -0.651673000000      -0.015691000000      -5.286214000000     R=1.30
45 H      -1.079228000000       4.837422000000      -2.781735000000     R=1.30
46 H      -5.551597000000       4.583496000000      -2.083181000000     R=1.30
47 H      -4.964356000000       1.318488000000      -5.634432000000     R=1.30
48 C      -6.316512000000       0.677675000000       4.448143000000     R=2.00
49 H      -6.596898000000       1.387526000000       3.655690000000     R=1.30
50 H      -7.221360000000       0.391530000000       4.998015000000     R=1.30
51 C      -6.089254000000      -4.327316000000       3.690802000000     R=2.00
52 H      -5.916459000000      -4.673351000000       4.721993000000     R=1.30
53 H      -7.175974000000      -4.340243000000       3.524834000000     R=1.30
54 C      -1.365292000000       4.275380000000      -1.884236000000     R=2.00
55 H      -2.447160000000       4.399533000000      -1.727510000000     R=1.30
56 H      -0.868772000000       4.723617000000      -1.011542000000     R=1.30
57 C       0.202242000000       0.370548000000      -4.706553000000     R=2.00
58 H       0.690333000000       1.141576000000      -5.317447000000     R=1.30
59 H       0.906988000000      -0.461935000000      -4.574198000000     R=1.30
60 C      -4.224715000000       0.749692000000      -5.054798000000     R=2.00
61 H      -3.226191000000       1.043005000000      -5.417864000000     R=1.30
62 H      -4.353547000000      -0.317269000000      -5.282671000000     R=1.30
63 C      -5.334564000000       3.906490000000      -1.247685000000     R=2.00
64 O      -1.186939000000       1.255361000000       2.747770000000     R=1.72
65 H      -0.262697000000       2.786361000000       1.995170000000     R=1.30
66 O      -0.869544000000       2.698432000000       2.765734000000     R=1.72
67 C      -4.765910000000       4.074205000000       2.699970000000     R=2.00
68 S      -0.364056000000      -2.028732000000       4.768904000000     R=2.16
69 C      -0.806475000000      -3.725274000000       4.288998000000     R=2.00
70 C       0.973027000000      -1.713656000000       3.578476000000     R=2.00
71 H       1.830407000000      -2.374840000000       3.757848000000     R=1.30
72 H       1.278494000000      -0.669705000000       3.716212000000     R=1.30
73 H       0.613088000000      -1.844044000000       2.548628000000     R=1.30
74 H       0.032847000000      -4.414544000000       4.447724000000     R=1.30
75 H      -1.123846000000      -3.758894000000       3.238271000000     R=1.30
76 H      -1.649052000000      -4.025204000000       4.923454000000     R=1.30
77 H      -4.730649000000       5.166751000000       2.815640000000     R=1.30
78 H      -5.195079000000       3.629400000000       3.611235000000     R=1.30
79 H      -5.409792000000       3.815514000000       1.844795000000     R=1.30
END

GUIBONDS
1 1 2 1.0
2 1 12 1.0
3 2 7 1.5
4 2 3 1.5
5 3 4 1.5
6 3 48 1.0
7 4 9 1.0
8 4 5 1.5
9 5 6 1.5
10 5 51 1.0
11 6 10 1.0
12 6 7 1.5
13 7 36 1.0
14 8 23 1.0
15 11 34 1.0
16 12 41 1.0
17 12 14 1.0
18 12 16 1.0
19 12 64 1.0
20 12 66 1.0
21 12 15 1.0
22 13 23 1.0
23 14 17 1.0
24 15 23 1.0
25 15 34 1.0
26 15 36 1.0
27 16 26 1.0
28 17 18 1.5
29 17 22 1.5
30 18 19 1.5
31 18 23 1.0
32 19 24 1.0
33 19 20 1.5
34 20 21 1.5
35 20 57 1.0
36 21 25 1.0
37 21 22 1.5
38 22 54 1.0
39 26 31 1.5
40 26 27 1.5
41 27 28 1.5
42 27 63 1.0
43 28 32 1.0
44 28 29 1.5
45 29 30 1.5
46 29 60 1.0
47 30 33 1.0
48 30 31 1.5
49 31 34 1.0
50 34 35 1.0
51 36 38 1.0
52 36 37 1.0
53 39 63 1.0
54 40 63 1.0
55 41 67 1.0
56 42 48 1.0
57 43 51 1.0
58 44 57 1.0
59 45 54 1.0
60 46 63 1.0
61 47 60 1.0
62 48 50 1.0
63 48 49 1.0
64 51 53 1.0
65 51 52 1.0
66 54 56 1.0
67 54 55 1.0
68 57 58 1.0
69 57 59 1.0
70 60 62 1.0
71 60 61 1.0
72 64 66 1.0
73 65 66 1.0
74 67 77 1.0
75 67 78 1.0
76 67 79 1.0
77 68 70 1.0
78 68 69 1.0
79 69 76 1.0
80 69 74 1.0
81 69 75 1.0
82 70 72 1.0
83 70 71 1.0
84 70 73 1.0
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



SCANFREQ -1000 0

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

