ATOMS
1 O      -5.735993000000       1.479435000000       1.810487000000     R=1.72
2 C      -6.340211000000       0.273188000000       1.944460000000     R=2.00
3 C      -7.743055000000       0.182184000000       1.840257000000     R=2.00
4 C      -8.333370000000      -1.074847000000       1.986761000000     R=2.00
5 C      -7.585719000000      -2.237355000000       2.230978000000     R=2.00
6 C      -6.197456000000      -2.112711000000       2.324937000000     R=2.00
7 C      -5.562653000000      -0.872663000000       2.187300000000     R=2.00
8 H      -1.503890000000      -1.193353000000       1.237310000000     R=1.30
9 H      -9.420883000000      -1.150396000000       1.902539000000     R=1.30
10 H      -5.586476000000      -3.000057000000       2.508197000000     R=1.30
11 H      -4.795514000000      -1.019170000000      -0.157363000000     R=1.30
12 Hf      -4.157407000000       2.140591000000       0.799196000000     R=2.108
13 H      -1.801555000000       0.035121000000       2.488387000000     R=1.30
14 O      -2.410763000000       2.549692000000       1.719703000000     R=1.72
15 N      -3.375988000000      -0.165939000000       1.121494000000     R=1.83
16 O      -4.150932000000       1.543651000000      -1.100627000000     R=1.72
17 C      -1.402634000000       2.203553000000       0.848625000000     R=2.00
18 C      -1.106915000000       0.841680000000       0.645587000000     R=2.00
19 C      -0.077172000000       0.488860000000      -0.228983000000     R=2.00
20 C       0.645564000000       1.456351000000      -0.929562000000     R=2.00
21 C       0.322320000000       2.804894000000      -0.717402000000     R=2.00
22 C      -0.688161000000       3.206083000000       0.158894000000     R=2.00
23 C      -1.898416000000      -0.180108000000       1.414427000000     R=2.00
24 H       0.138325000000      -0.568980000000      -0.390786000000     R=1.30
25 H       0.872616000000       3.575222000000      -1.263992000000     R=1.30
26 C      -3.325260000000       0.731584000000      -1.807028000000     R=2.00
27 C      -2.715198000000       1.211336000000      -2.982106000000     R=2.00
28 C      -1.866426000000       0.350018000000      -3.681381000000     R=2.00
29 C      -1.600655000000      -0.958724000000      -3.254197000000     R=2.00
30 C      -2.213013000000      -1.399695000000      -2.077845000000     R=2.00
31 C      -3.063054000000      -0.568520000000      -1.343238000000     R=2.00
32 H      -1.383825000000       0.720479000000      -4.589926000000     R=1.30
33 H      -2.010430000000      -2.407845000000      -1.707127000000     R=1.30
34 C      -3.698813000000      -1.027701000000      -0.065133000000     R=2.00
35 H      -3.394544000000      -2.065252000000       0.156673000000     R=1.30
36 C      -4.073844000000      -0.737037000000       2.329651000000     R=2.00
37 H      -3.633924000000      -1.722361000000       2.559343000000     R=1.30
38 H      -3.832421000000      -0.062783000000       3.166956000000     R=1.30
39 H      -4.030855000000       2.831774000000      -3.541724000000     R=1.30
40 H      -2.592709000000       3.334338000000      -2.656669000000     R=1.30
41 O      -4.627371000000       4.022771000000       0.109568000000     R=1.72
42 H      -8.370066000000       2.186204000000       2.336696000000     R=1.30
43 H      -7.534694000000      -4.383503000000       2.496637000000     R=1.30
44 H       1.243000000000       0.984724000000      -2.943303000000     R=1.30
45 H      -0.350466000000       5.306650000000      -0.182689000000     R=1.30
46 H      -2.445118000000       2.842473000000      -4.364170000000     R=1.30
47 H      -0.689363000000      -1.661664000000      -5.089407000000     R=1.30
48 C      -8.548452000000       1.420635000000       1.567352000000     R=2.00
49 H      -8.261158000000       1.875684000000       0.607341000000     R=1.30
50 H      -9.621254000000       1.194240000000       1.538237000000     R=1.30
51 C      -8.266811000000      -3.573399000000       2.384655000000     R=2.00
52 H      -8.922733000000      -3.587865000000       3.268328000000     R=1.30
53 H      -8.897308000000      -3.803349000000       1.513080000000     R=1.30
54 C      -1.038362000000       4.652827000000       0.366822000000     R=2.00
55 H      -2.062226000000       4.863719000000       0.018247000000     R=1.30
56 H      -1.001169000000       4.921714000000       1.432802000000     R=1.30
57 C       1.690456000000       1.061254000000      -1.939336000000     R=2.00
58 H       2.500275000000       1.801066000000      -1.995617000000     R=1.30
59 H       2.129384000000       0.083148000000      -1.701680000000     R=1.30
60 C      -0.633254000000      -1.836141000000      -4.006199000000     R=2.00
61 H       0.404762000000      -1.631150000000      -3.697757000000     R=1.30
62 H      -0.826463000000      -2.900768000000      -3.818748000000     R=1.30
63 C      -2.957434000000       2.627842000000      -3.418348000000     R=2.00
64 O      -4.757925000000       4.224071000000       1.587506000000     R=1.72
65 H      -3.933030000000       4.715102000000       1.797348000000     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

RESTART Hfint3frqs.t21

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

