ATOMS
1 O      -5.668822000000       1.548370000000       2.009340000000     R=1.72
2 C      -6.315092000000       0.359327000000       2.100195000000     R=2.00
3 C      -7.724105000000       0.329725000000       2.051071000000     R=2.00
4 C      -8.361400000000      -0.909178000000       2.149164000000     R=2.00
5 C      -7.654172000000      -2.113014000000       2.292550000000     R=2.00
6 C      -6.259040000000      -2.048771000000       2.335789000000     R=2.00
7 C      -5.578233000000      -0.829090000000       2.244918000000     R=2.00
8 H      -1.534703000000      -1.179729000000       1.101456000000     R=1.30
9 H      -9.453789000000      -0.935551000000       2.108506000000     R=1.30
10 H      -5.678828000000      -2.968710000000       2.443444000000     R=1.30
11 H      -4.875312000000      -0.891681000000      -0.148820000000     R=1.30
12 Hf      -4.139474000000       2.228137000000       0.936030000000     R=2.108
13 H      -1.791155000000      -0.077168000000       2.472726000000     R=1.30
14 O      -2.429168000000       2.500157000000       1.969359000000     R=1.72
15 N      -3.408805000000      -0.145942000000       1.143799000000     R=1.83
16 O      -4.137979000000       1.701938000000      -0.977609000000     R=1.72
17 C      -1.439387000000       2.241580000000       1.047539000000     R=2.00
18 C      -1.157081000000       0.904381000000       0.697043000000     R=2.00
19 C      -0.157058000000       0.639066000000      -0.240305000000     R=2.00
20 C       0.552419000000       1.670271000000      -0.859393000000     R=2.00
21 C       0.253564000000       2.990872000000      -0.492637000000     R=2.00
22 C      -0.725926000000       3.305741000000       0.452157000000     R=2.00
23 C      -1.925155000000      -0.189947000000       1.387354000000     R=2.00
24 H       0.043659000000      -0.397557000000      -0.517539000000     R=1.30
25 H       0.799460000000       3.810336000000      -0.967670000000     R=1.30
26 C      -3.361880000000       0.888934000000      -1.738378000000     R=2.00
27 C      -2.753329000000       1.400672000000      -2.900449000000     R=2.00
28 C      -1.945069000000       0.544121000000      -3.651118000000     R=2.00
29 C      -1.718508000000      -0.790804000000      -3.285945000000     R=2.00
30 C      -2.331938000000      -1.264165000000      -2.122938000000     R=2.00
31 C      -3.145024000000      -0.439981000000      -1.338925000000     R=2.00
32 H      -1.461696000000       0.939060000000      -4.548961000000     R=1.30
33 H      -2.159946000000      -2.294689000000      -1.801689000000     R=1.30
34 C      -3.778036000000      -0.939153000000      -0.073553000000     R=2.00
35 H      -3.503999000000      -1.996286000000       0.089872000000     R=1.30
36 C      -4.080991000000      -0.760146000000       2.339974000000     R=2.00
37 H      -3.674395000000      -1.773749000000       2.500060000000     R=1.30
38 H      -3.787986000000      -0.142179000000       3.203379000000     R=1.30
39 H      -4.014808000000       3.095045000000      -3.357647000000     R=1.30
40 H      -2.537276000000       3.499598000000      -2.482773000000     R=1.30
41 O      -4.693547000000       4.098577000000       0.683858000000     R=1.72
42 H      -8.261013000000       2.314155000000       2.706718000000     R=1.30
43 H      -7.681196000000      -4.269038000000       2.463343000000     R=1.30
44 H       1.060727000000       1.347138000000      -2.925246000000     R=1.30
45 H      -0.418537000000       5.428877000000       0.267705000000     R=1.30
46 H      -2.447045000000       3.081844000000      -4.213268000000     R=1.30
47 H      -0.941360000000      -1.520948000000      -5.172438000000     R=1.30
48 C      -8.488684000000       1.613082000000       1.890110000000     R=2.00
49 H      -8.210226000000       2.125993000000       0.957026000000     R=1.30
50 H      -9.569776000000       1.427874000000       1.877596000000     R=1.30
51 C      -8.383685000000      -3.428444000000       2.394054000000     R=2.00
52 H      -9.033395000000      -3.456985000000       3.281902000000     R=1.30
53 H      -9.028672000000      -3.596252000000       1.518617000000     R=1.30
54 C      -1.028939000000       4.724170000000       0.845474000000     R=2.00
55 H      -2.091163000000       4.963873000000       0.688508000000     R=1.30
56 H      -0.830466000000       4.885582000000       1.915849000000     R=1.30
57 C       1.556802000000       1.374630000000      -1.941661000000     R=2.00
58 H       2.340913000000       2.142128000000      -1.987788000000     R=1.30
59 H       2.034235000000       0.397036000000      -1.791042000000     R=1.30
60 C      -0.792479000000      -1.664157000000      -4.092968000000     R=2.00
61 H       0.261203000000      -1.423842000000      -3.877585000000     R=1.30
62 H      -0.942360000000      -2.727331000000      -3.863429000000     R=1.30
63 C      -2.947998000000       2.844302000000      -3.266742000000     R=2.00
64 H      -4.997359000000       4.656680000000      -0.045310000000     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

