ATOMS
1 O      -5.989641000000       1.345163000000       1.605442000000     R=1.72
2 C      -6.518777000000       0.106627000000       1.684296000000     R=2.00
3 C      -7.880173000000      -0.084392000000       1.373811000000     R=2.00
4 C      -8.390357000000      -1.380529000000       1.462846000000     R=2.00
5 C      -7.599706000000      -2.478264000000       1.837510000000     R=2.00
6 C      -6.250411000000      -2.250483000000       2.123677000000     R=2.00
7 C      -5.695823000000      -0.967948000000       2.058608000000     R=2.00
8 H      -1.727401000000      -0.961971000000       2.130430000000     R=1.30
9 H      -9.444587000000      -1.541339000000       1.223080000000     R=1.30
10 H      -5.608319000000      -3.088216000000       2.405987000000     R=1.30
11 H      -4.568710000000      -1.077296000000      -0.028992000000     R=1.30
12 Ta      -4.345852000000       2.261764000000       1.165335000000     R=2.025
13 H      -2.121217000000       0.607137000000       2.860050000000     R=1.30
14 O      -2.431960000000       2.641754000000       0.754611000000     R=1.72
15 N      -3.457249000000       0.005016000000       1.366399000000     R=1.83
16 O      -4.501199000000       1.664149000000      -0.716487000000     R=1.72
17 C      -1.280178000000       1.984291000000       0.455306000000     R=2.00
18 C      -1.045850000000       0.707748000000       0.995394000000     R=2.00
19 C       0.135087000000       0.038384000000       0.671367000000     R=2.00
20 C       1.089814000000       0.604225000000      -0.179752000000     R=2.00
21 C       0.823173000000       1.872871000000      -0.706292000000     R=2.00
22 C      -0.346401000000       2.581038000000      -0.413200000000     R=2.00
23 C      -2.054433000000       0.067121000000       1.903876000000     R=2.00
24 H       0.302125000000      -0.960345000000       1.082553000000     R=1.30
25 H       1.545228000000       2.328266000000      -1.388955000000     R=1.30
26 C      -3.609788000000       1.077967000000      -1.546407000000     R=2.00
27 C      -3.254668000000       1.699548000000      -2.757758000000     R=2.00
28 C      -2.269752000000       1.088815000000      -3.538927000000     R=2.00
29 C      -1.642459000000      -0.105676000000      -3.158846000000     R=2.00
30 C      -2.048681000000      -0.713963000000      -1.966539000000     R=2.00
31 C      -3.024702000000      -0.137834000000      -1.153087000000     R=2.00
32 H      -1.966272000000       1.576072000000      -4.469324000000     R=1.30
33 H      -1.575308000000      -1.644929000000      -1.645630000000     R=1.30
34 C      -3.509517000000      -0.810069000000       0.100781000000     R=2.00
35 H      -2.951598000000      -1.746822000000       0.267961000000     R=1.30
36 C      -4.259193000000      -0.720141000000       2.419526000000     R=2.00
37 H      -3.768040000000      -1.685121000000       2.629275000000     R=1.30
38 H      -4.191783000000      -0.103365000000       3.327193000000     R=1.30
39 H      -4.990960000000       2.856620000000      -3.317917000000     R=1.30
40 H      -3.805755000000       3.751559000000      -2.369733000000     R=1.30
41 O      -5.140787000000       3.989299000000       0.795315000000     R=1.72
42 H      -8.724225000000       1.871018000000       1.723859000000     R=1.30
43 H      -7.420151000000      -4.624752000000       2.036901000000     R=1.30
44 H       2.118922000000      -0.870574000000      -1.376536000000     R=1.30
45 H       0.096254000000       4.144769000000      -1.821036000000     R=1.30
46 H      -3.470792000000       3.385568000000      -4.082427000000     R=1.30
47 H      -0.614434000000      -0.431048000000      -5.038588000000     R=1.30
48 C      -8.724999000000       1.084799000000       0.954558000000     R=2.00
49 H      -8.331478000000       1.544557000000       0.035725000000     R=1.30
50 H      -9.760746000000       0.774415000000       0.772235000000     R=1.30
51 C      -8.198375000000      -3.857398000000       1.935896000000     R=2.00
52 H      -8.863251000000      -3.937288000000       2.809892000000     R=1.30
53 H      -8.802982000000      -4.094247000000       1.048820000000     R=1.30
54 C      -0.622884000000       3.925650000000      -1.022592000000     R=2.00
55 H      -1.637141000000       3.964173000000      -1.441975000000     R=1.30
56 H      -0.559477000000       4.734908000000      -0.278925000000     R=1.30
57 C       2.332377000000      -0.155646000000      -0.565705000000     R=2.00
58 H       3.120781000000       0.519990000000      -0.922602000000     R=1.30
59 H       2.730244000000      -0.733943000000       0.279612000000     R=1.30
60 C      -0.514584000000      -0.682275000000      -3.974046000000     R=2.00
61 H       0.452601000000      -0.280410000000      -3.630525000000     R=1.30
62 H      -0.465451000000      -1.775500000000      -3.878977000000     R=1.30
63 C      -3.910273000000       2.991189000000      -3.158152000000     R=2.00
64 C      -6.223147000000       4.337511000000      -0.069913000000     R=2.00
65 H      -6.212936000000       5.422210000000      -0.243957000000     R=1.30
66 H      -7.176972000000       4.056816000000       0.400814000000     R=1.30
67 H      -6.125537000000       3.810296000000      -1.031334000000     R=1.30
68 O      -3.884163000000       2.472167000000       3.052874000000     R=1.72
69 O      -3.139072000000       5.931335000000       0.748159000000     R=1.72
70 O      -2.320986000000       5.302319000000       1.794017000000     R=1.72
71 H      -2.114011000000       4.434362000000       1.369445000000     R=1.30
72 H      -3.956856000000       5.370450000000       0.801787000000     R=1.30
73 H      -3.004297000000       2.758362000000       3.350211000000     R=1.30
END


SOLVATION
    Surf Esurf
    Solv 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

GEOMETRY
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

