ATOMS
1 O      -2.098824000000       0.284274000000       2.913980000000     R=1.72
2 C      -2.613538000000      -0.878763000000       3.337015000000     R=2.00
3 C      -3.195110000000      -0.959760000000       4.623774000000     R=2.00
4 C      -3.737464000000      -2.177850000000       5.036323000000     R=2.00
5 C      -3.728729000000      -3.322109000000       4.222601000000     R=2.00
6 C      -3.152996000000      -3.212535000000       2.954490000000     R=2.00
7 C      -2.591620000000      -2.012223000000       2.500724000000     R=2.00
8 H      -1.887869000000      -2.094971000000      -1.418828000000     R=1.30
9 H      -4.191920000000      -2.235299000000       6.029639000000     R=1.30
10 H      -3.137987000000      -4.082491000000       2.292294000000     R=1.30
11 H      -4.354825000000      -1.290209000000       1.055197000000     R=1.30
12 Hf      -2.048334000000       1.377190000000       1.216803000000     R=2.108
13 H      -0.677533000000      -0.958055000000      -0.804307000000     R=1.30
14 O      -1.794549000000       1.792810000000      -0.760756000000     R=1.72
15 N      -2.489551000000      -0.887914000000       0.223792000000     R=1.83
16 O      -4.059593000000       1.489870000000       1.054515000000     R=1.72
17 C      -2.082592000000       1.280497000000      -1.970864000000     R=2.00
18 C      -2.094380000000      -0.112890000000      -2.178318000000     R=2.00
19 C      -2.416854000000      -0.615599000000      -3.441889000000     R=2.00
20 C      -2.736546000000       0.224775000000      -4.511645000000     R=2.00
21 C      -2.722159000000       1.606373000000      -4.278946000000     R=2.00
22 C      -2.405242000000       2.152491000000      -3.033171000000     R=2.00
23 C      -1.743371000000      -1.058312000000      -1.063213000000     R=2.00
24 H      -2.437982000000      -1.699601000000      -3.584526000000     R=1.30
25 H      -2.982535000000       2.286758000000      -5.094872000000     R=1.30
26 C      -4.778966000000       1.230418000000      -0.058980000000     R=2.00
27 C      -5.549520000000       2.253078000000      -0.651127000000     R=2.00
28 C      -6.243764000000       1.967743000000      -1.829317000000     R=2.00
29 C      -6.205377000000       0.704855000000      -2.436550000000     R=2.00
30 C      -5.454791000000      -0.295800000000      -1.814004000000     R=2.00
31 C      -4.737675000000      -0.053329000000      -0.639917000000     R=2.00
32 H      -6.822249000000       2.767478000000      -2.300955000000     R=1.30
33 H      -5.395809000000      -1.287179000000      -2.270441000000     R=1.30
34 C      -3.956749000000      -1.144826000000       0.040078000000     R=2.00
35 H      -4.085868000000      -2.096517000000      -0.506454000000     R=1.30
36 C      -1.932020000000      -1.931713000000       1.153420000000     R=2.00
37 H      -1.998633000000      -2.918870000000       0.661041000000     R=1.30
38 H      -0.864596000000      -1.688004000000       1.269145000000     R=1.30
39 H      -5.990855000000       3.577802000000       0.998666000000     R=1.30
40 H      -4.551969000000       4.016848000000       0.088256000000     R=1.30
41 S       1.021636000000       1.131567000000      -0.110307000000     R=2.16
42 H      -2.207624000000       0.637459000000       5.689546000000     R=1.30
43 H      -4.334508000000      -5.375606000000       3.911927000000     R=1.30
44 H      -4.239362000000      -0.478255000000      -5.900200000000     R=1.30
45 H      -2.670502000000       4.185070000000      -3.701929000000     R=1.30
46 H      -6.166492000000       4.319378000000      -0.615078000000     R=1.30
47 H      -7.782331000000       1.081199000000      -3.876835000000     R=1.30
48 C      -3.224567000000       0.265160000000       5.493708000000     R=2.00
49 H      -3.761470000000       1.087081000000       4.996302000000     R=1.30
50 H      -3.712491000000       0.056178000000       6.453978000000     R=1.30
51 C      -4.320589000000      -4.621030000000       4.709398000000     R=2.00
52 H      -3.743507000000      -5.034137000000       5.551341000000     R=1.30
53 H      -5.352621000000      -4.483511000000       5.064896000000     R=1.30
54 C      -2.443799000000       3.632806000000      -2.781266000000     R=2.00
55 H      -3.211755000000       3.873777000000      -2.030589000000     R=1.30
56 H      -1.488925000000       4.000030000000      -2.376313000000     R=1.30
57 C      -3.147333000000      -0.336970000000      -5.849124000000     R=2.00
58 H      -2.868691000000       0.335392000000      -6.672384000000     R=1.30
59 H      -2.684420000000      -1.316083000000      -6.034196000000     R=1.30
60 C      -6.886644000000       0.455942000000      -3.757763000000     R=2.00
61 H      -6.208317000000       0.691310000000      -4.594338000000     R=1.30
62 H      -7.184363000000      -0.596090000000      -3.866983000000     R=1.30
63 C      -5.571699000000       3.616188000000      -0.018344000000     R=2.00
64 O       0.102390000000       0.772898000000       1.093154000000     R=1.72
65 C       1.224441000000       2.924775000000      -0.075191000000     R=2.00
66 O      -1.612746000000       3.169889000000       1.958299000000     R=1.72
67 H      -1.361721000000       3.409617000000       2.862193000000     R=1.30
68 C       2.652959000000       0.658408000000       0.488071000000     R=2.00
69 H       2.844229000000       1.145526000000       1.451235000000     R=1.30
70 H       3.384604000000       0.965004000000      -0.269702000000     R=1.30
71 H       2.650759000000      -0.432312000000       0.589867000000     R=1.30
72 H       1.526061000000       3.238241000000       0.930724000000     R=1.30
73 H       0.252459000000       3.348136000000      -0.349161000000     R=1.30
74 H       1.984106000000       3.178050000000      -0.825269000000     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

AnalyticalFreq
END

RESTART ../Hf_int4_bonded.run.t21

NumericalQuality Good

NOPRINT LOGFILE

