ATOMS
1  O        -5.739939    1.399063    1.700016    R=1.72
2  C        -6.276833    0.172259    1.790351    R=2.00
3  C        -7.655426    0.018022    1.512956    R=2.00
4  C        -8.209754   -1.256411    1.629794    R=2.00
5  C        -7.454200   -2.377239    2.012289    R=2.00
6  C        -6.093095   -2.192960    2.270411    R=2.00
7  C        -5.494837   -0.933173    2.165731    R=2.00
8  H        -1.510475   -0.934469    2.103823    R=1.30
9  H        -9.272604   -1.383111    1.406806    R=1.30
10 H        -5.474784   -3.047647    2.556219    R=1.30
11 H        -4.451578   -1.198039    0.073539    R=1.30
12 V        -4.242221    2.168910    0.892713    R=1.908
13 H        -1.921207    0.667711    2.759868    R=1.30
14 O        -2.475158    2.510427    0.532480    R=1.72
15 N        -3.294253   -0.043658    1.363348    R=1.83
16 O        -4.641843    1.512569   -0.775672    R=1.72
17 C        -1.294657    1.930390    0.264475    R=2.00
18 C        -0.944975    0.703968    0.856752    R=2.00
19 C         0.278311    0.117383    0.539940    R=2.00
20 C         1.166047    0.719813   -0.360357    R=2.00
21 C         0.796433    1.945957   -0.928564    R=2.00
22 C        -0.416675    2.572592   -0.636331    R=2.00
23 C        -1.884835    0.070099    1.835552    R=2.00
24 H         0.538510   -0.840545    0.997247    R=1.30
25 H         1.475455    2.431431   -1.634258    R=1.30
26 C        -3.713120    0.939584   -1.584960    R=2.00
27 C        -3.437189    1.538531   -2.830261    R=2.00
28 C        -2.444702    0.966243   -3.629017    R=2.00
29 C        -1.730736   -0.173652   -3.233984    R=2.00
30 C        -2.052356   -0.759701   -2.006273    R=2.00
31 C        -3.030015   -0.219085   -1.168478    R=2.00
32 H        -2.208501    1.438518   -4.586249    R=1.30
33 H        -1.506369   -1.645073   -1.672576    R=1.30
34 C        -3.398143   -0.886181    0.129254    R=2.00
35 H        -2.791120   -1.798909    0.265014    R=1.30
36 C        -4.043936   -0.720996    2.467156    R=2.00
37 H        -3.567017   -1.691717    2.693885    R=1.30
38 H        -3.921231   -0.084829    3.358035    R=1.30
39 H        -5.261116    2.569495   -3.349254    R=1.30
40 H        -4.098129    3.560528   -2.476007    R=1.30
41 O        -4.750440    3.714598    0.969718    R=1.72
42 H        -8.454487    1.988848    1.870981    R=1.30
43 H        -7.349649   -4.527728    2.222080    R=1.30
44 H         2.285712   -0.711244   -1.525072    R=1.30
45 H         0.011631    4.303769   -1.842299    R=1.30
46 H        -3.807679    3.165178   -4.194037    R=1.30
47 H        -0.783812   -0.546994   -5.146745    R=1.30
48 C        -8.462441    1.212255    1.091710    R=2.00
49 H        -8.033608    1.675862    0.191088    R=1.30
50 H        -9.502504    0.931885    0.885307    R=1.30
51 C        -8.101269   -3.731192    2.147188    R=2.00
52 H        -8.731124   -3.780421    3.049307    R=1.30
53 H        -8.751834   -3.950774    1.288628    R=1.30
54 C        -0.821663    3.866298   -1.279073    R=2.00
55 H        -1.660864    3.704113   -1.971983    R=1.30
56 H        -1.169699    4.591068   -0.529943    R=1.30
57 C         2.456853    0.044517   -0.741538    R=2.00
58 H         3.185908    0.765207   -1.134542    R=1.30
59 H         2.908600   -0.474458    0.115031    R=1.30
60 C        -0.604432   -0.712955   -4.075868    R=2.00
61 H         0.341853   -0.209551   -3.819349    R=1.30
62 H        -0.457451   -1.788695   -3.910763    R=1.30
63 C        -4.185594    2.774881   -3.241149    R=2.00
64 O        -3.692029    2.491339    3.127100    R=1.72
65 O        -3.448585    3.918045    3.357099    R=1.72
66 H        -3.869631    4.277576    2.528662    R=1.30
67 H        -4.564633    2.362825    3.561211    R=1.30
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



AnalyticalFreq
END

ScanFreq -1000 0

NumericalQuality Good

NOPRINT LOGFILE

