ATOMS
1 O      -5.684431000000       1.551734000000       2.015529000000     R=1.72
2 C      -6.323378000000       0.360139000000       2.104270000000     R=2.00
3 C      -7.732468000000       0.322679000000       2.053905000000     R=2.00
4 C      -8.363545000000      -0.919495000000       2.148117000000     R=2.00
5 C      -7.650688000000      -2.120373000000       2.288442000000     R=2.00
6 C      -6.256188000000      -2.049236000000       2.332752000000     R=2.00
7 C      -5.581517000000      -0.825889000000       2.245751000000     R=2.00
8 H      -1.544032000000      -1.175641000000       1.111207000000     R=1.30
9 H      -9.455722000000      -0.951446000000       2.105902000000     R=1.30
10 H      -5.671600000000      -2.966719000000       2.437479000000     R=1.30
11 H      -4.880197000000      -0.872210000000      -0.149089000000     R=1.30
12 Hf      -4.144271000000       2.228277000000       0.946296000000     R=2.108
13 H      -1.795854000000      -0.063088000000       2.475531000000     R=1.30
14 O      -2.416324000000       2.513180000000       1.956375000000     R=1.72
15 N      -3.412523000000      -0.132274000000       1.145746000000     R=1.83
16 O      -4.133545000000       1.721299000000      -0.978417000000     R=1.72
17 C      -1.430330000000       2.243933000000       1.036672000000     R=2.00
18 C      -1.152980000000       0.903654000000       0.694709000000     R=2.00
19 C      -0.153070000000       0.627257000000      -0.239532000000     R=2.00
20 C       0.560767000000       1.650812000000      -0.865965000000     R=2.00
21 C       0.264555000000       2.975178000000      -0.511018000000     R=2.00
22 C      -0.714429000000       3.300309000000       0.430603000000     R=2.00
23 C      -1.928300000000      -0.181562000000       1.390537000000     R=2.00
24 H       0.043227000000      -0.412075000000      -0.509748000000     R=1.30
25 H       0.811959000000       3.789248000000      -0.993585000000     R=1.30
26 C      -3.359279000000       0.905732000000      -1.734905000000     R=2.00
27 C      -2.744157000000       1.416752000000      -2.894635000000     R=2.00
28 C      -1.937774000000       0.558533000000      -3.644958000000     R=2.00
29 C      -1.717996000000      -0.778294000000      -3.282420000000     R=2.00
30 C      -2.335762000000      -1.251062000000      -2.121703000000     R=2.00
31 C      -3.147031000000      -0.424922000000      -1.337849000000     R=2.00
32 H      -1.450301000000       0.953456000000      -4.540587000000     R=1.30
33 H      -2.168372000000      -2.282761000000      -1.801721000000     R=1.30
34 C      -3.783081000000      -0.923018000000      -0.073768000000     R=2.00
35 H      -3.512669000000      -1.980993000000       0.090006000000     R=1.30
36 C      -4.084791000000      -0.749808000000       2.341138000000     R=2.00
37 H      -3.673096000000      -1.761367000000       2.500834000000     R=1.30
38 H      -3.794187000000      -0.131258000000       3.205035000000     R=1.30
39 H      -3.995652000000       3.120485000000      -3.346221000000     R=1.30
40 H      -2.516554000000       3.512875000000      -2.470417000000     R=1.30
41 O      -4.703546000000       4.059911000000       0.648962000000     R=1.72
42 H      -8.280256000000       2.302836000000       2.713271000000     R=1.30
43 H      -7.667233000000      -4.276724000000       2.457137000000     R=1.30
44 H       1.070704000000       1.311722000000      -2.929286000000     R=1.30
45 H      -0.389621000000       5.421417000000       0.242295000000     R=1.30
46 H      -2.427992000000       3.100115000000      -4.202552000000     R=1.30
47 H      -0.933974000000      -1.502932000000      -5.168298000000     R=1.30
48 C      -8.502444000000       1.602918000000       1.894226000000     R=2.00
49 H      -8.222515000000       2.119650000000       0.963776000000     R=1.30
50 H      -9.582701000000       1.413338000000       1.877650000000     R=1.30
51 C      -8.373701000000      -3.439796000000       2.384628000000     R=2.00
52 H      -9.028410000000      -3.473174000000       3.268551000000     R=1.30
53 H      -9.012597000000      -3.610702000000       1.505339000000     R=1.30
54 C      -1.020320000000       4.723055000000       0.805539000000     R=2.00
55 H      -2.075451000000       4.966925000000       0.611456000000     R=1.30
56 H      -0.858746000000       4.891809000000       1.880560000000     R=1.30
57 C       1.565189000000       1.343255000000      -1.945016000000     R=2.00
58 H       2.353312000000       2.106377000000      -1.995069000000     R=1.30
59 H       2.037972000000       0.364570000000      -1.787260000000     R=1.30
60 C      -0.793299000000      -1.653701000000      -4.088813000000     R=2.00
61 H       0.260836000000      -1.423064000000      -3.865092000000     R=1.30
62 H      -0.952478000000      -2.717169000000      -3.867091000000     R=1.30
63 C      -2.930399000000       2.862515000000      -3.256896000000     R=2.00
64 H      -4.972500000000       4.941843000000      -1.204640000000     R=1.30
65 C      -5.034448000000       5.180647000000      -0.129233000000     R=2.00
66 H      -4.345381000000       6.016185000000       0.080033000000     R=1.30
67 H      -6.059541000000       5.518307000000       0.094245000000     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

GEOMETRY
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

