ATOMS
1 O      -1.430134000000       0.139503000000       2.504415000000     R=1.72
2 C      -2.021944000000      -0.937239000000       3.083921000000     R=2.00
3 C      -2.356808000000      -0.908742000000       4.453093000000     R=2.00
4 C      -2.990248000000      -2.028568000000       4.997596000000     R=2.00
5 C      -3.303791000000      -3.166504000000       4.238439000000     R=2.00
6 C      -2.955715000000      -3.162865000000       2.885559000000     R=2.00
7 C      -2.314470000000      -2.064720000000       2.300288000000     R=2.00
8 H      -2.049274000000      -2.251595000000      -1.681662000000     R=1.30
9 H      -3.258019000000      -2.007263000000       6.057432000000     R=1.30
10 H      -3.182466000000      -4.033435000000       2.264983000000     R=1.30
11 H      -4.252033000000      -1.291143000000       0.997120000000     R=1.30
12 Hf      -1.927686000000       1.206605000000       0.842622000000     R=2.108
13 H      -0.726750000000      -1.173583000000      -1.186523000000     R=1.30
14 O      -1.534157000000       1.561662000000      -1.069511000000     R=1.72
15 N      -2.444170000000      -1.001756000000      -0.006652000000     R=1.83
16 O      -3.869214000000       1.493010000000       1.032068000000     R=1.72
17 C      -2.003117000000       1.112797000000      -2.262881000000     R=2.00
18 C      -2.195861000000      -0.264970000000      -2.449428000000     R=2.00
19 C      -2.703736000000      -0.725237000000      -3.666977000000     R=2.00
20 C      -3.039014000000       0.157068000000      -4.697327000000     R=2.00
21 C      -2.847198000000       1.527686000000      -4.474871000000     R=2.00
22 C      -2.337573000000       2.031123000000      -3.274783000000     R=2.00
23 C      -1.814063000000      -1.223124000000      -1.360470000000     R=2.00
24 H      -2.855643000000      -1.798905000000      -3.802827000000     R=1.30
25 H      -3.115094000000       2.237181000000      -5.262361000000     R=1.30
26 C      -4.656301000000       1.269424000000      -0.074596000000     R=2.00
27 C      -5.384733000000       2.344084000000      -0.618736000000     R=2.00
28 C      -6.162615000000       2.103921000000      -1.752635000000     R=2.00
29 C      -6.235661000000       0.841946000000      -2.358874000000     R=2.00
30 C      -5.505042000000      -0.201975000000      -1.789297000000     R=2.00
31 C      -4.703685000000      -0.010082000000      -0.658881000000     R=2.00
32 H      -6.721912000000       2.937133000000      -2.186104000000     R=1.30
33 H      -5.531368000000      -1.191373000000      -2.250836000000     R=1.30
34 C      -3.941508000000      -1.159448000000      -0.050199000000     R=2.00
35 H      -4.179039000000      -2.092369000000      -0.587944000000     R=1.30
36 C      -1.871079000000      -2.090813000000       0.869193000000     R=2.00
37 H      -2.122381000000      -3.065655000000       0.419257000000     R=1.30
38 H      -0.778208000000      -1.971296000000       0.816246000000     R=1.30
39 H      -5.573852000000       3.674924000000       1.072039000000     R=1.30
40 H      -4.253944000000       4.083796000000      -0.018875000000     R=1.30
41 O      -0.960664000000       2.732238000000       1.702637000000     R=1.72
42 H      -0.959492000000       0.500556000000       5.308548000000     R=1.30
43 H      -4.209536000000      -5.127805000000       4.127951000000     R=1.30
44 H      -4.742805000000      -0.347812000000      -5.927752000000     R=1.30
45 H      -2.405974000000       4.081052000000      -3.933831000000     R=1.30
46 H      -5.932434000000       4.423896000000      -0.508780000000     R=1.30
47 H      -7.942991000000       1.241316000000      -3.631835000000     R=1.30
48 C      -2.043159000000       0.306219000000       5.279791000000     R=2.00
49 H      -2.518832000000       1.207527000000       4.864323000000     R=1.30
50 H      -2.391184000000       0.179261000000       6.312005000000     R=1.30
51 C      -3.994202000000      -4.348413000000       4.870231000000     R=2.00
52 H      -3.373810000000      -4.796933000000       5.660870000000     R=1.30
53 H      -4.945043000000      -4.051854000000       5.337389000000     R=1.30
54 C      -2.181178000000       3.504456000000      -3.028261000000     R=2.00
55 H      -2.861868000000       3.838235000000      -2.229557000000     R=1.30
56 H      -1.163155000000       3.751249000000      -2.694440000000     R=1.30
57 C      -3.642308000000      -0.343598000000      -5.984533000000     R=2.00
58 H      -3.363311000000       0.293826000000      -6.834531000000     R=1.30
59 H      -3.323445000000      -1.371285000000      -6.204709000000     R=1.30
60 C      -7.024923000000       0.637961000000      -3.625516000000     R=2.00
61 H      -6.430096000000       0.939075000000      -4.502671000000     R=1.30
62 H      -7.301405000000      -0.415837000000      -3.762107000000     R=1.30
63 C      -5.287554000000       3.704950000000       0.010724000000     R=2.00
64 H      -0.648233000000       1.757489000000       3.314289000000     R=1.30
65 O      -0.453203000000       2.697076000000       3.070767000000     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

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

