ATOMS
1 O      -1.854953000000       0.349268000000       2.662224000000     R=1.72
2 C      -2.307885000000      -0.810797000000       3.165791000000     R=2.00
3 C      -2.739157000000      -0.866025000000       4.510627000000     R=2.00
4 C      -3.224506000000      -2.077995000000       5.004033000000     R=2.00
5 C      -3.302048000000      -3.237615000000       4.216048000000     R=2.00
6 C      -2.871262000000      -3.152234000000       2.890201000000     R=2.00
7 C      -2.369167000000      -1.959194000000       2.354626000000     R=2.00
8 H      -2.006562000000      -2.127930000000      -1.610053000000     R=1.30
9 H      -3.561766000000      -2.118103000000       6.043682000000     R=1.30
10 H      -2.922069000000      -4.035942000000       2.248509000000     R=1.30
11 H      -4.261484000000      -1.224905000000       1.033892000000     R=1.30
12 Hf      -1.994268000000       1.417022000000       0.968313000000     R=2.108
13 H      -0.729051000000      -1.002705000000      -1.108575000000     R=1.30
14 O      -1.692848000000       1.727782000000      -1.014617000000     R=1.72
15 N      -2.460133000000      -0.874292000000       0.047935000000     R=1.83
16 O      -3.981356000000       1.570445000000       0.893795000000     R=1.72
17 C      -2.112975000000       1.237089000000      -2.199831000000     R=2.00
18 C      -2.218716000000      -0.152246000000      -2.389406000000     R=2.00
19 C      -2.665936000000      -0.645947000000      -3.617182000000     R=2.00
20 C      -3.025479000000       0.207943000000      -4.663583000000     R=2.00
21 C      -2.919876000000       1.588064000000      -4.445012000000     R=2.00
22 C      -2.473607000000       2.124472000000      -3.234346000000     R=2.00
23 C      -1.812931000000      -1.088640000000      -1.289338000000     R=2.00
24 H      -2.753468000000      -1.727833000000      -3.748087000000     R=1.30
25 H      -3.207959000000       2.276877000000      -5.244112000000     R=1.30
26 C      -4.773469000000       1.254139000000      -0.162907000000     R=2.00
27 C      -5.582561000000       2.251072000000      -0.744034000000     R=2.00
28 C      -6.359641000000       1.911888000000      -1.853600000000     R=2.00
29 C      -6.362331000000       0.620998000000      -2.400507000000     R=2.00
30 C      -5.565606000000      -0.349409000000      -1.788995000000     R=2.00
31 C      -4.764738000000      -0.054725000000      -0.681575000000     R=2.00
32 H      -6.973830000000       2.688807000000      -2.317437000000     R=1.30
33 H      -5.539423000000      -1.361362000000      -2.200577000000     R=1.30
34 C      -3.939962000000      -1.122578000000      -0.013501000000     R=2.00
35 H      -4.116269000000      -2.093895000000      -0.509146000000     R=1.30
36 C      -1.841405000000      -1.910545000000       0.950144000000     R=2.00
37 H      -1.968240000000      -2.903910000000       0.484092000000     R=1.30
38 H      -0.762188000000      -1.691592000000       0.960297000000     R=1.30
39 H      -5.893971000000       3.648229000000       0.874787000000     R=1.30
40 H      -4.545188000000       4.057531000000      -0.177631000000     R=1.30
41 O       0.234242000000       0.741923000000       0.496890000000     R=1.72
42 H      -1.651859000000       0.773532000000       5.398331000000     R=1.30
43 H      -3.882549000000      -5.312811000000       4.025183000000     R=1.30
44 H      -4.662407000000      -0.446880000000      -5.915928000000     R=1.30
45 H      -2.646811000000       4.164940000000      -3.907975000000     R=1.30
46 H      -6.216277000000       4.311390000000      -0.750532000000     R=1.30
47 H      -8.099365000000       0.856101000000      -3.677104000000     R=1.30
48 C      -2.676406000000       0.375218000000       5.354971000000     R=2.00
49 H      -3.298104000000       1.175429000000       4.925369000000     R=1.30
50 H      -3.020687000000       0.174901000000       6.377194000000     R=1.30
51 C      -3.834678000000      -4.526439000000       4.789841000000     R=2.00
52 H      -3.198706000000      -4.892911000000       5.610227000000     R=1.30
53 H      -4.845802000000      -4.393306000000       5.202932000000     R=1.30
54 C      -2.409182000000       3.605764000000      -2.994416000000     R=2.00
55 H      -3.125209000000       3.900702000000      -2.211778000000     R=1.30
56 H      -1.415115000000       3.913189000000      -2.638303000000     R=1.30
57 C      -3.566842000000      -0.335917000000      -5.961295000000     R=2.00
58 H      -3.342475000000       0.332995000000      -6.803390000000     R=1.30
59 H      -3.149430000000      -1.326514000000      -6.188199000000     R=1.30
60 C      -7.145472000000       0.311125000000      -3.650170000000     R=2.00
61 H      -6.576792000000       0.604514000000      -4.547476000000     R=1.30
62 H      -7.359584000000      -0.762772000000      -3.735275000000     R=1.30
63 C      -5.564605000000       3.642084000000      -0.175129000000     R=2.00
64 O      -1.408844000000       3.171787000000       1.660004000000     R=1.72
65 O       1.247490000000       0.931107000000       1.545899000000     R=1.72
66 H       0.586895000000       1.278321000000      -0.245966000000     R=1.30
67 H       1.599378000000       0.017991000000       1.605337000000     R=1.30
68 H      -1.270561000000       4.023594000000       1.220720000000     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

NumericalQuality Good

NOPRINT LOGFILE

