ATOMS
1 O      -1.817762000000       0.343808000000       2.678183000000     R=1.72
2 C      -2.292281000000      -0.810869000000       3.173776000000     R=2.00
3 C      -2.730290000000      -0.865384000000       4.516763000000     R=2.00
4 C      -3.237686000000      -2.071027000000       5.003234000000     R=2.00
5 C      -3.331170000000      -3.226345000000       4.210799000000     R=2.00
6 C      -2.893506000000      -3.142771000000       2.887233000000     R=2.00
7 C      -2.369868000000      -1.955950000000       2.358570000000     R=2.00
8 H      -1.982855000000      -2.127978000000      -1.604091000000     R=1.30
9 H      -3.580301000000      -2.109655000000       6.041198000000     R=1.30
10 H      -2.956076000000      -4.023326000000       2.242328000000     R=1.30
11 H      -4.260960000000      -1.244856000000       1.024134000000     R=1.30
12 Hf      -2.002165000000       1.402303000000       0.974549000000     R=2.108
13 H      -0.718991000000      -0.989716000000      -1.098810000000     R=1.30
14 O      -1.694961000000       1.729234000000      -1.014087000000     R=1.72
15 N      -2.457007000000      -0.876631000000       0.049579000000     R=1.83
16 O      -3.995207000000       1.539973000000       0.928820000000     R=1.72
17 C      -2.114869000000       1.234854000000      -2.197253000000     R=2.00
18 C      -2.212134000000      -0.154909000000      -2.386916000000     R=2.00
19 C      -2.656396000000      -0.651865000000      -3.614516000000     R=2.00
20 C      -3.022335000000       0.199482000000      -4.660470000000     R=2.00
21 C      -2.926957000000       1.580454000000      -4.441392000000     R=2.00
22 C      -2.483327000000       2.119970000000      -3.231473000000     R=2.00
23 C      -1.801098000000      -1.086138000000      -1.284760000000     R=2.00
24 H      -2.736561000000      -1.734262000000      -3.746303000000     R=1.30
25 H      -3.221068000000       2.267050000000      -5.240135000000     R=1.30
26 C      -4.775177000000       1.242430000000      -0.142220000000     R=2.00
27 C      -5.572560000000       2.250741000000      -0.719725000000     R=2.00
28 C      -6.336941000000       1.929225000000      -1.843025000000     R=2.00
29 C      -6.337452000000       0.645823000000      -2.407484000000     R=2.00
30 C      -5.549510000000      -0.335381000000      -1.801904000000     R=2.00
31 C      -4.760714000000      -0.057966000000      -0.681573000000     R=2.00
32 H      -6.941992000000       2.714567000000      -2.304649000000     R=1.30
33 H      -5.519384000000      -1.340323000000      -2.229881000000     R=1.30
34 C      -3.936651000000      -1.130997000000      -0.021084000000     R=2.00
35 H      -4.105471000000      -2.097954000000      -0.527428000000     R=1.30
36 C      -1.837397000000      -1.908933000000       0.955934000000     R=2.00
37 H      -1.959228000000      -2.903489000000       0.491213000000     R=1.30
38 H      -0.759261000000      -1.684977000000       0.969881000000     R=1.30
39 H      -5.897519000000       3.630986000000       0.911547000000     R=1.30
40 H      -4.527622000000       4.038801000000      -0.113070000000     R=1.30
41 O       0.244622000000       0.777556000000       0.470450000000     R=1.72
42 H      -1.620872000000       0.753833000000       5.413604000000     R=1.30
43 H      -3.949868000000      -5.289457000000       4.008495000000     R=1.30
44 H      -4.654535000000      -0.464251000000      -5.914772000000     R=1.30
45 H      -2.672766000000       4.160277000000      -3.902361000000     R=1.30
46 H      -6.186749000000       4.317541000000      -0.710106000000     R=1.30
47 H      -8.065143000000       0.893862000000      -3.694610000000     R=1.30
48 C      -2.651235000000       0.371456000000       5.365947000000     R=2.00
49 H      -3.258873000000       1.182756000000       4.937034000000     R=1.30
50 H      -3.001800000000       0.173067000000       6.386389000000     R=1.30
51 C      -3.886865000000      -4.508506000000       4.777538000000     R=2.00
52 H      -3.257039000000      -4.891946000000       5.594878000000     R=1.30
53 H      -4.895014000000      -4.359943000000       5.192475000000     R=1.30
54 C      -2.428383000000       3.601385000000      -2.990488000000     R=2.00
55 H      -3.142746000000       3.890671000000      -2.204350000000     R=1.30
56 H      -1.435104000000       3.915128000000      -2.637196000000     R=1.30
57 C      -3.559492000000      -0.347901000000      -5.958303000000     R=2.00
58 H      -3.336933000000       0.321107000000      -6.800741000000     R=1.30
59 H      -3.136984000000      -1.336528000000      -6.184058000000     R=1.30
60 C      -7.106828000000       0.356625000000      -3.670475000000     R=2.00
61 H      -6.532519000000       0.674307000000      -4.555781000000     R=1.30
62 H      -7.311110000000      -0.716842000000      -3.780604000000     R=1.30
63 C      -5.551404000000       3.634335000000      -0.132929000000     R=2.00
64 H      -0.096405000000       4.745710000000       1.607860000000     R=1.30
65 O       1.270917000000       1.037715000000       1.493369000000     R=1.72
66 H      -1.819806000000       5.204457000000       1.532252000000     R=1.30
67 H      -1.005520000000       4.560420000000       0.077260000000     R=1.30
68 O      -1.438354000000       3.171176000000       1.559369000000     R=1.72
69 C      -1.073899000000       4.474709000000       1.175992000000     R=2.00
70 H       1.714438000000       0.163750000000       1.510950000000     R=1.30
71 H       0.525668000000       1.352255000000      -0.275180000000     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

