ATOMS
1 O      -7.107801000000       1.081753000000       3.008417000000     R=1.72
2 C      -7.184102000000      -0.150802000000       2.405635000000     R=2.00
3 C      -8.463533000000      -0.712963000000       2.226795000000     R=2.00
4 C      -8.560886000000      -1.977189000000       1.643394000000     R=2.00
5 C      -7.429579000000      -2.703708000000       1.244417000000     R=2.00
6 C      -6.176927000000      -2.129534000000       1.463824000000     R=2.00
7 C      -6.024539000000      -0.853231000000       2.029828000000     R=2.00
8 H      -2.176786000000      -0.541185000000       2.531641000000     R=1.30
9 H      -9.553830000000      -2.411042000000       1.497102000000     R=1.30
10 H      -5.282138000000      -2.704015000000       1.213705000000     R=1.30
11 H      -4.661235000000      -0.762211000000      -0.122588000000     R=1.30
12 V      -4.360017000000       2.775356000000       0.572303000000     R=1.908
13 H      -2.700778000000       1.087089000000       3.005728000000     R=1.30
14 O      -2.513245000000       2.893300000000       0.569598000000     R=1.72
15 N      -3.762165000000       0.313120000000       1.405585000000     R=1.83
16 O      -4.336765000000       1.833948000000      -1.050690000000     R=1.72
17 C      -1.357135000000       2.237535000000       0.705363000000     R=2.00
18 C      -1.282314000000       1.020661000000       1.411820000000     R=2.00
19 C      -0.052370000000       0.364705000000       1.493761000000     R=2.00
20 C       1.104918000000       0.876111000000       0.896666000000     R=2.00
21 C       1.004703000000       2.094757000000       0.212474000000     R=2.00
22 C      -0.200871000000       2.787370000000       0.101158000000     R=2.00
23 C      -2.469753000000       0.451104000000       2.137887000000     R=2.00
24 H      -0.002583000000      -0.586343000000       2.030416000000     R=1.30
25 H       1.894519000000       2.515401000000      -0.263585000000     R=1.30
26 C      -3.271892000000       1.172797000000      -1.549617000000     R=2.00
27 C      -2.593102000000       1.692705000000      -2.670501000000     R=2.00
28 C      -1.464413000000       1.010323000000      -3.133235000000     R=2.00
29 C      -1.000191000000      -0.164926000000      -2.527777000000     R=2.00
30 C      -1.719763000000      -0.673796000000      -1.440578000000     R=2.00
31 C      -2.844314000000      -0.019811000000      -0.937399000000     R=2.00
32 H      -0.916611000000       1.423099000000      -3.984963000000     R=1.30
33 H      -1.375067000000      -1.585289000000      -0.945540000000     R=1.30
34 C      -3.633541000000      -0.574572000000       0.217590000000     R=2.00
35 H      -3.198396000000      -1.546307000000       0.523079000000     R=1.30
36 C      -4.658352000000      -0.346058000000       2.423509000000     R=2.00
37 H      -4.102461000000      -1.215737000000       2.825184000000     R=1.30
38 H      -4.766498000000       0.381390000000       3.237984000000     R=1.30
39 H      -4.072499000000       2.824418000000      -3.763682000000     R=1.30
40 H      -3.200916000000       3.757110000000      -2.552377000000     R=1.30
41 O      -4.763722000000       4.310962000000       0.218810000000     R=1.72
42 H      -9.685351000000       0.241578000000       3.734965000000     R=1.30
43 H      -6.639032000000      -4.638191000000       0.681024000000     R=1.30
44 H       2.517703000000      -0.525896000000       0.056846000000     R=1.30
45 H       0.675455000000       4.421465000000      -0.995124000000     R=1.30
46 H      -2.387265000000       3.310276000000      -4.081659000000     R=1.30
47 H       0.501085000000      -0.588634000000      -4.032282000000     R=1.30
48 C      -9.683910000000       0.057262000000       2.650229000000     R=2.00
49 H      -9.709004000000       1.044945000000       2.167296000000     R=1.30
50 H     -10.599597000000      -0.488472000000       2.390579000000     R=1.30
51 C      -7.566416000000      -4.056436000000       0.592959000000     R=2.00
52 H      -8.382762000000      -4.638490000000       1.042851000000     R=1.30
53 H      -7.792110000000      -3.956871000000      -0.480663000000     R=1.30
54 C      -0.311690000000       4.069541000000      -0.671096000000     R=2.00
55 H      -0.940908000000       3.926091000000      -1.562014000000     R=1.30
56 H      -0.793529000000       4.857764000000      -0.075012000000     R=1.30
57 C       2.405263000000       0.117307000000       0.944807000000     R=2.00
58 H       3.268043000000       0.797230000000       0.963104000000     R=1.30
59 H       2.458837000000      -0.534094000000       1.827477000000     R=1.30
60 C       0.275539000000      -0.824164000000      -2.983516000000     R=2.00
61 H       1.126963000000      -0.475167000000      -2.376383000000     R=1.30
62 H       0.227205000000      -1.916723000000      -2.876905000000     R=1.30
63 C      -3.081390000000       2.964008000000      -3.305507000000     R=2.00
64 O      -4.388517000000       2.856586000000       2.601271000000     R=1.72
65 O      -6.174769000000       2.218451000000       0.740976000000     R=1.72
66 O      -7.149953000000       3.279521000000       0.937742000000     R=1.72
67 H      -6.547119000000       1.643350000000       2.417642000000     R=1.30
68 N      -4.117060000000       3.981635000000       3.400310000000     R=1.83
69 C      -5.226456000000       4.982542000000       3.269405000000     R=2.00
70 C      -2.804911000000       4.613138000000       3.038751000000     R=2.00
71 H      -5.232268000000       5.334824000000       2.235396000000     R=1.30
72 H      -5.039220000000       5.808424000000       3.963662000000     R=1.30
73 H      -6.161263000000       4.467608000000       3.504863000000     R=1.30
74 H      -2.879375000000       4.983000000000       2.013799000000     R=1.30
75 H      -2.033015000000       3.842465000000       3.106882000000     R=1.30
76 H      -2.610362000000       5.430708000000       3.740332000000     R=1.30
77 C      -4.064580000000       3.462684000000       4.804864000000     R=2.00
78 H      -3.246750000000       2.739624000000       4.860963000000     R=1.30
79 H      -5.020459000000       2.972629000000       5.007271000000     R=1.30
80 H      -3.894285000000       4.299070000000       5.490704000000     R=1.30
81 H      -6.630355000000       4.052735000000       0.606284000000     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

