ATOMS
1 O      -1.963530000000       0.221613000000       2.592389000000     R=1.72
2 C      -2.563356000000      -0.859414000000       3.109898000000     R=2.00
3 C      -3.091469000000      -0.799214000000       4.420473000000     R=2.00
4 C      -3.712985000000      -1.936649000000       4.937009000000     R=2.00
5 C      -3.834971000000      -3.129398000000       4.205251000000     R=2.00
6 C      -3.314310000000      -3.154911000000       2.908887000000     R=2.00
7 C      -2.677303000000      -2.039384000000       2.352524000000     R=2.00
8 H      -2.099180000000      -2.265826000000      -1.580968000000     R=1.30
9 H      -4.126982000000      -1.888970000000       5.948205000000     R=1.30
10 H      -3.405973000000      -4.063427000000       2.307581000000     R=1.30
11 H      -4.438582000000      -1.317811000000       0.927948000000     R=1.30
12 Hf      -2.025943000000       1.156068000000       0.936711000000     R=2.108
13 H      -0.806560000000      -1.177733000000      -1.035641000000     R=1.30
14 O      -1.840719000000       1.561215000000      -0.903816000000     R=1.72
15 N      -2.575218000000      -0.997007000000       0.054799000000     R=1.83
16 O      -3.899862000000       1.395377000000       1.029958000000     R=1.72
17 C      -2.187059000000       1.102429000000      -2.119005000000     R=2.00
18 C      -2.246809000000      -0.281705000000      -2.354964000000     R=2.00
19 C      -2.643731000000      -0.744804000000      -3.610674000000     R=2.00
20 C      -2.987439000000       0.136471000000      -4.641015000000     R=2.00
21 C      -2.918372000000       1.511416000000      -4.377776000000     R=2.00
22 C      -2.529128000000       2.017730000000      -3.135853000000     R=2.00
23 C      -1.882929000000      -1.233566000000      -1.253396000000     R=2.00
24 H      -2.704470000000      -1.823148000000      -3.779994000000     R=1.30
25 H      -3.194651000000       2.218218000000      -5.165002000000     R=1.30
26 C      -4.712489000000       1.263349000000      -0.043421000000     R=2.00
27 C      -5.452302000000       2.365359000000      -0.518856000000     R=2.00
28 C      -6.232319000000       2.189999000000      -1.665582000000     R=2.00
29 C      -6.307616000000       0.967082000000      -2.346617000000     R=2.00
30 C      -5.593824000000      -0.116656000000      -1.827487000000     R=2.00
31 C      -4.796447000000       0.014840000000      -0.689470000000     R=2.00
32 H      -6.788831000000       3.048347000000      -2.052429000000     R=1.30
33 H      -5.629607000000      -1.081841000000      -2.338433000000     R=1.30
34 C      -4.063383000000      -1.151616000000      -0.092440000000     R=2.00
35 H      -4.264307000000      -2.066367000000      -0.676714000000     R=1.30
36 C      -2.087586000000      -2.081868000000       0.974521000000     R=2.00
37 H      -2.305097000000      -3.060869000000       0.512320000000     R=1.30
38 H      -0.994772000000      -1.970716000000       1.016478000000     R=1.30
39 H      -5.786339000000       3.607188000000       1.216239000000     R=1.30
40 H      -4.331460000000       4.009894000000       0.317532000000     R=1.30
41 O       0.068961000000       0.201608000000       0.756904000000     R=1.72
42 H      -1.931128000000       0.774571000000       5.334640000000     R=1.30
43 H      -4.635511000000      -5.133977000000       4.061765000000     R=1.30
44 H      -4.576231000000      -0.446054000000      -5.985703000000     R=1.30
45 H      -2.744561000000       4.076900000000      -3.738261000000     R=1.30
46 H      -5.930156000000       4.460355000000      -0.342304000000     R=1.30
47 H      -7.911798000000       1.550817000000      -3.682923000000     R=1.30
48 C      -2.982814000000       0.481413000000       5.197812000000     R=2.00
49 H      -3.463248000000       1.308890000000       4.654546000000     R=1.30
50 H      -3.452341000000       0.385851000000       6.184715000000     R=1.30
51 C      -4.508184000000      -4.337147000000       4.806200000000     R=2.00
52 H      -3.919512000000      -4.749024000000       5.640624000000     R=1.30
53 H      -5.500499000000      -4.084213000000       5.207957000000     R=1.30
54 C      -2.514873000000       3.490051000000      -2.840366000000     R=2.00
55 H      -3.263044000000       3.731911000000      -2.069686000000     R=1.30
56 H      -1.537011000000       3.814477000000      -2.452684000000     R=1.30
57 C      -3.476505000000      -0.373761000000      -5.972269000000     R=2.00
58 H      -3.185887000000       0.297373000000      -6.792131000000     R=1.30
59 H      -3.081157000000      -1.375232000000      -6.189458000000     R=1.30
60 C      -7.073777000000       0.841998000000      -3.638022000000     R=2.00
61 H      -6.417122000000       1.053191000000      -4.497922000000     R=1.30
62 H      -7.472057000000      -0.172807000000      -3.774947000000     R=1.30
63 C      -5.374367000000       3.684000000000       0.198346000000     R=2.00
64 O      -0.887980000000       2.569232000000       1.571327000000     R=1.72
65 H      -1.595621000000       3.656176000000       0.149071000000     R=1.30
66 O      -1.903860000000       3.503323000000       1.071460000000     R=1.72
67 C       1.103968000000       0.840985000000      -0.029313000000     R=2.00
68 H       1.319035000000       1.844630000000       0.358866000000     R=1.30
69 H       0.711188000000       0.925072000000      -1.046840000000     R=1.30
70 H       2.008559000000       0.219999000000      -0.024894000000     R=1.30
71 H       0.384145000000       0.099643000000       1.674162000000     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

