ATOMS
1 O      -2.093451000000       0.380234000000       2.798914000000     R=1.72
2 C      -2.522460000000      -0.807781000000       3.255572000000     R=2.00
3 C      -3.017070000000      -0.906476000000       4.575981000000     R=2.00
4 C      -3.480430000000      -2.144056000000       5.023691000000     R=2.00
5 C      -3.478698000000      -3.288046000000       4.210073000000     R=2.00
6 C      -2.989324000000      -3.159588000000       2.908267000000     R=2.00
7 C      -2.502221000000      -1.941056000000       2.416208000000     R=2.00
8 H      -1.839513000000      -2.059931000000      -1.520574000000     R=1.30
9 H      -3.865318000000      -2.217251000000       6.044774000000     R=1.30
10 H      -2.979205000000      -4.031852000000       2.249438000000     R=1.30
11 H      -4.333699000000      -1.310466000000       0.969634000000     R=1.30
12 Hf      -2.076001000000       1.372710000000       1.042528000000     R=2.108
13 H      -0.701264000000      -0.813027000000      -0.958980000000     R=1.30
14 O      -1.931697000000       1.820386000000      -0.964014000000     R=1.72
15 N      -2.499063000000      -0.850473000000       0.099977000000     R=1.83
16 O      -4.101175000000       1.483917000000       0.973064000000     R=1.72
17 C      -2.245059000000       1.279527000000      -2.158168000000     R=2.00
18 C      -2.202910000000      -0.117994000000      -2.326278000000     R=2.00
19 C      -2.559386000000      -0.670312000000      -3.559098000000     R=2.00
20 C      -2.965849000000       0.126913000000      -4.632938000000     R=2.00
21 C      -3.002829000000       1.513531000000      -4.437252000000     R=2.00
22 C      -2.653872000000       2.109500000000      -3.222800000000     R=2.00
23 C      -1.758502000000      -1.006729000000      -1.198480000000     R=2.00
24 H      -2.536070000000      -1.757422000000      -3.673208000000     R=1.30
25 H      -3.331654000000       2.158213000000      -5.257126000000     R=1.30
26 C      -4.854415000000       1.213699000000      -0.117172000000     R=2.00
27 C      -5.661723000000       2.222139000000      -0.682837000000     R=2.00
28 C      -6.383303000000       1.923113000000      -1.840898000000     R=2.00
29 C      -6.333886000000       0.662458000000      -2.452476000000     R=2.00
30 C      -5.542276000000      -0.322664000000      -1.856923000000     R=2.00
31 C      -4.796265000000      -0.066985000000      -0.703379000000     R=2.00
32 H      -6.991993000000       2.710818000000      -2.294021000000     R=1.30
33 H      -5.472778000000      -1.309909000000      -2.320209000000     R=1.30
34 C      -3.966676000000      -1.141991000000      -0.053876000000     R=2.00
35 H      -4.079131000000      -2.090076000000      -0.608134000000     R=1.30
36 C      -1.902915000000      -1.870763000000       1.037151000000     R=2.00
37 H      -1.984846000000      -2.865470000000       0.564958000000     R=1.30
38 H      -0.832886000000      -1.623382000000       1.100370000000     R=1.30
39 H      -6.051684000000       3.537496000000       0.987760000000     R=1.30
40 H      -4.678100000000       4.017540000000      -0.000438000000     R=1.30
41 S       1.095826000000       1.246055000000       1.870366000000     R=2.16
42 H      -2.033095000000       0.751590000000       5.547048000000     R=1.30
43 H      -4.008106000000      -5.368456000000       3.942036000000     R=1.30
44 H      -4.496377000000      -0.680850000000      -5.929821000000     R=1.30
45 H      -3.117899000000       4.096905000000      -3.913946000000     R=1.30
46 H      -6.334877000000       4.269355000000      -0.615269000000     R=1.30
47 H      -7.964458000000       1.000720000000      -3.841278000000     R=1.30
48 C      -3.039718000000       0.319371000000       5.444658000000     R=2.00
49 H      -3.667579000000       1.105625000000       4.998833000000     R=1.30
50 H      -3.426533000000       0.087137000000       6.444613000000     R=1.30
51 C      -3.986264000000      -4.607916000000       4.733453000000     R=2.00
52 H      -3.348509000000      -4.987505000000       5.546694000000     R=1.30
53 H      -5.003403000000      -4.512337000000       5.141557000000     R=1.30
54 C      -2.741510000000       3.594353000000      -3.014352000000     R=2.00
55 H      -3.415257000000       3.829110000000      -2.176878000000     R=1.30
56 H      -1.760450000000       4.029943000000      -2.766706000000     R=1.30
57 C      -3.411172000000      -0.487751000000      -5.935399000000     R=2.00
58 H      -3.203993000000       0.176043000000      -6.786024000000     R=1.30
59 H      -2.910864000000      -1.448374000000      -6.119244000000     R=1.30
60 C      -7.047075000000       0.402334000000      -3.754405000000     R=2.00
61 H      -6.401149000000       0.665437000000      -4.608109000000     R=1.30
62 H      -7.314889000000      -0.657576000000      -3.863384000000     R=1.30
63 C      -5.689462000000       3.585102000000      -0.050241000000     R=2.00
64 O      -1.415708000000       3.269275000000       1.424419000000     R=1.72
65 C       2.389793000000      -0.007370000000       1.902090000000     R=2.00
66 O      -0.980544000000       4.106488000000       0.301231000000     R=1.72
67 H      -1.266894000000       3.545605000000      -0.467408000000     R=1.30
68 C       1.971714000000       2.556364000000       0.997933000000     R=2.00
69 H       2.397049000000       2.152508000000       0.071494000000     R=1.30
70 H       2.751260000000       2.941212000000       1.667372000000     R=1.30
71 H       1.220693000000       3.329295000000       0.789266000000     R=1.30
72 H       2.716427000000      -0.212969000000       0.875760000000     R=1.30
73 H       1.958310000000      -0.899883000000       2.368590000000     R=1.30
74 H       3.213104000000       0.378361000000       2.516137000000     R=1.30
75 O       0.084919000000       0.694398000000       0.827180000000     R=1.72
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

