ATOMS
1 O      -5.963276000000       1.470587000000       1.778089000000     R=1.72
2 C      -6.351375000000       0.237278000000       1.810796000000     R=2.00
3 C      -7.704663000000      -0.107257000000       1.460744000000     R=2.00
4 C      -8.147103000000      -1.424297000000       1.554096000000     R=2.00
5 C      -7.314676000000      -2.472603000000       1.986148000000     R=2.00
6 C      -5.992472000000      -2.141279000000       2.303065000000     R=2.00
7 C      -5.492077000000      -0.836861000000       2.216947000000     R=2.00
8 H      -1.378056000000      -1.045846000000       1.881581000000     R=1.30
9 H      -9.185109000000      -1.648056000000       1.278999000000     R=1.30
10 H      -5.306638000000      -2.937256000000       2.615813000000     R=1.30
11 H      -4.558367000000      -1.130330000000       0.152565000000     R=1.30
12 V      -4.302131000000       2.707822000000       1.130506000000     R=1.908
13 H      -1.818275000000       0.466284000000       2.734986000000     R=1.30
14 O      -2.137650000000       2.744603000000       1.429339000000     R=1.72
15 N      -3.235822000000      -0.139239000000       1.366774000000     R=1.83
16 O      -4.153220000000       1.620835000000      -0.769361000000     R=1.72
17 C      -1.218707000000       2.173055000000       0.695076000000     R=2.00
18 C      -0.959308000000       0.774360000000       0.806644000000     R=2.00
19 C       0.056519000000       0.187885000000       0.052615000000     R=2.00
20 C       0.829202000000       0.919998000000      -0.856688000000     R=2.00
21 C       0.549974000000       2.290066000000      -0.984059000000     R=2.00
22 C      -0.437527000000       2.926678000000      -0.233900000000     R=2.00
23 C      -1.822678000000      -0.028035000000       1.749317000000     R=2.00
24 H       0.213410000000      -0.893146000000       0.136290000000     R=1.30
25 H       1.116987000000       2.880661000000      -1.713916000000     R=1.30
26 C      -3.405910000000       0.864902000000      -1.514637000000     R=2.00
27 C      -2.958658000000       1.320024000000      -2.801163000000     R=2.00
28 C      -2.206133000000       0.485857000000      -3.627070000000     R=2.00
29 C      -1.835642000000      -0.815324000000      -3.250628000000     R=2.00
30 C      -2.244734000000      -1.247567000000      -1.982621000000     R=2.00
31 C      -2.999730000000      -0.451955000000      -1.121350000000     R=2.00
32 H      -1.879886000000       0.869515000000      -4.601973000000     R=1.30
33 H      -1.944080000000      -2.244547000000      -1.637398000000     R=1.30
34 C      -3.467007000000      -0.994416000000       0.202502000000     R=2.00
35 H      -3.026776000000      -2.011183000000       0.359881000000     R=1.30
36 C      -4.042564000000      -0.562105000000       2.530455000000     R=2.00
37 H      -3.608505000000      -1.483687000000       2.989793000000     R=1.30
38 H      -3.959907000000       0.256382000000       3.266350000000     R=1.30
39 H      -4.399328000000       2.894920000000      -3.128228000000     R=1.30
40 H      -2.873457000000       3.440440000000      -2.479037000000     R=1.30
41 O      -4.828688303000       4.141562774000       0.533241571700     R=1.72
42 H      -8.717915000000       1.774805000000       1.774389000000     R=1.30
43 H      -7.037516000000      -4.566466000000       2.448596000000     R=1.30
44 H       1.373791000000      -0.054038000000      -2.713174000000     R=1.30
45 H      -0.183256000000       4.839376000000      -1.210432000000     R=1.30
46 H      -2.962115000000       2.965100000000      -4.206706000000     R=1.30
47 H      -1.125115000000      -1.447266000000      -5.201941000000     R=1.30
48 C      -8.599281000000       1.005903000000       0.993893000000     R=2.00
49 H      -8.146980000000       1.532465000000       0.138724000000     R=1.30
50 H      -9.592997000000       0.631964000000       0.708064000000     R=1.30
51 C      -7.823181000000      -3.890987000000       2.080420000000     R=2.00
52 H      -8.682996000000      -3.980267000000       2.765512000000     R=1.30
53 H      -8.157660000000      -4.277631000000       1.102927000000     R=1.30
54 C      -0.756958000000       4.386529000000      -0.388841000000     R=2.00
55 H      -1.835312000000       4.526480000000      -0.566685000000     R=1.30
56 H      -0.544118000000       4.946201000000       0.537478000000     R=1.30
57 C       1.833742000000       0.242889000000      -1.755009000000     R=2.00
58 H       2.682644000000       0.902699000000      -1.992564000000     R=1.30
59 H       2.236137000000      -0.672162000000      -1.294753000000     R=1.30
60 C      -0.971242000000      -1.678641000000      -4.136526000000     R=2.00
61 H       0.105503000000      -1.539931000000      -3.931041000000     R=1.30
62 H      -1.186481000000      -2.748953000000      -3.993137000000     R=1.30
63 C      -3.313181000000       2.725453000000      -3.192040000000     R=2.00
END

GUIBONDS
1 1 2 1.0
2 1 12 1.0
3 2 7 1.5
4 2 3 1.0
5 3 4 1.5
6 3 48 1.0
7 4 9 1.0
8 4 5 1.5
9 5 6 1.5
10 5 51 1.0
11 6 10 1.0
12 6 7 1.5
13 7 36 1.0
14 8 23 1.0
15 11 34 1.0
16 12 41 2.0
17 63 39 1.0
18 12 14 1.0
19 12 16 1.0
20 13 23 1.0
21 14 17 1.0
22 15 34 1.0
23 15 23 1.0
24 15 36 1.0
25 16 26 1.0
26 17 18 1.5
27 17 22 1.5
28 18 19 1.5
29 18 23 1.0
30 19 24 1.0
31 19 20 1.5
32 20 21 1.5
33 20 57 1.0
34 21 25 1.0
35 21 22 1.5
36 22 54 1.0
37 26 31 1.5
38 26 27 1.0
39 27 28 1.5
40 27 63 1.0
41 28 32 1.0
42 28 29 1.5
43 29 30 1.5
44 29 60 1.0
45 30 33 1.0
46 30 31 1.5
47 31 34 1.0
48 34 35 1.0
49 36 38 1.0
50 36 37 1.0
51 63 40 1.0
52 42 48 1.0
53 43 51 1.0
54 44 57 1.0
55 45 54 1.0
56 46 63 1.0
57 47 60 1.0
58 48 50 1.0
59 48 49 1.0
60 51 52 1.0
61 51 53 1.0
62 54 55 1.0
63 54 56 1.0
64 57 59 1.0
65 57 58 1.0
66 60 62 1.0
67 60 61 1.0
END

SOLVATION
    Surf Esurf
    Solvent 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

