ATOMS
1  O        -7.116561    0.830298    2.527580     R=1.72
2  C        -7.128517   -0.478165    2.067799     R=2.00
3  C        -8.321801   -1.052844    1.598363     R=2.00
4  C        -8.284435   -2.381698    1.172828     R=2.00
5  C        -7.107254   -3.141572    1.208935     R=2.00
6  C        -5.949432   -2.526071    1.687642     R=2.00
7  C        -5.925520   -1.188739    2.111518     R=2.00
8  H        -2.227393   -0.418244    3.033685     R=1.30
9  H        -9.208096   -2.837976    0.808387     R=1.30
10 H        -5.021664   -3.100410    1.741074     R=1.30
11 H        -4.539924   -1.026212    0.183433     R=1.30
12 V        -4.239406    3.182247    0.641576     R=1.908
13 H        -2.832629    1.247104    3.190071     R=1.30
14 O        -2.494453    2.885659    0.872444     R=1.72
15 N        -3.789529    0.152413    1.699972     R=1.83
16 O        -4.643761    1.829367   -0.593128     R=1.72
17 C        -1.387287    2.133542    0.923831     R=2.00
18 C        -1.368829    0.929613    1.650741     R=2.00
19 C        -0.202332    0.161804    1.623313     R=2.00
20 C         0.923236    0.547904    0.887653     R=2.00
21 C         0.869597    1.757289    0.179693     R=2.00
22 C        -0.264410    2.566638    0.183014     R=2.00
23 C        -2.554540    0.472010    2.456126     R=2.00
24 H        -0.182651   -0.778407    2.179305     R=1.30
25 H         1.737139    2.073804   -0.404888     R=1.30
26 C        -3.597823    1.248218   -1.251445     R=2.00
27 C        -3.135112    1.806467   -2.463509     R=2.00
28 C        -2.038777    1.216364   -3.099212     R=2.00
29 C        -1.393386    0.088874   -2.577865     R=2.00
30 C        -1.903019   -0.468429   -1.402685     R=2.00
31 C        -2.991618    0.085722   -0.722372     R=2.00
32 H        -1.670426    1.663738   -4.026497     R=1.30
33 H        -1.419026   -1.349957   -0.974544     R=1.30
34 C        -3.555511   -0.638138    0.480056     R=2.00
35 H        -2.917748   -1.524359    0.686623     R=1.30
36 C        -4.654362   -0.587136    2.659380     R=2.00
37 H        -4.071426   -1.420600    3.107816     R=1.30
38 H        -4.890237    0.112974    3.474139     R=1.30
39 H        -4.891291    2.836360   -3.177390     R=1.30
40 H        -3.739616    3.879569   -2.356303     R=1.30
41 O        -4.310371    4.611130   -0.097610     R=1.72
42 H        -9.878868    0.108155    2.574424     R=1.30
43 H        -6.184459   -5.091382    1.052784     R=1.30
44 H         2.171837   -0.880012   -0.136190     R=1.30
45 H         0.606293    4.049834   -1.111490     R=1.30
46 H        -3.375460    3.291644   -4.004024     R=1.30
47 H        -0.126005   -0.254269   -4.301695     R=1.30
48 C        -9.591593   -0.244828    1.569529     R=2.00
49 H        -9.495563    0.641782    0.922544     R=1.30
50 H       -10.425504   -0.845607    1.188459     R=1.30
51 C        -7.094830   -4.570239    0.729518     R=2.00
52 H        -7.963841   -5.127022    1.107496     R=1.30
53 H        -7.133105   -4.617121   -0.369936     R=1.30
54 C        -0.345346    3.837826   -0.609820     R=2.00
55 H        -1.136376    3.764144   -1.370794     R=1.30
56 H        -0.606755    4.694891    0.027869     R=1.30
57 C         2.144588   -0.329074    0.817640     R=2.00
58 H         3.068859    0.262733    0.873713     R=1.30
59 H         2.155460   -1.069244    1.628033     R=1.30
60 C        -0.153754   -0.471147   -3.225256     R=2.00
61 H         0.750019   -0.027852   -2.775911     R=1.30
62 H        -0.083403   -1.559133   -3.089130     R=1.30
63 C        -3.815525    3.017697   -3.037039     R=2.00
64 O        -4.985420    3.421513    2.323539     R=1.72
65 O        -6.150574    2.972794    1.279817     R=1.72
66 H        -6.340323    2.054709    1.631574     R=1.30
67 H        -8.036257    1.140697    2.627697     R=1.30
68 S        -3.328383    4.543598    3.841632     R=2.16
69 C        -4.030754    6.113417    3.268115     R=2.00
70 C        -1.616661    4.753918    3.280252     R=2.00
71 H        -3.960116    6.174576    2.174675     R=1.30
72 H        -3.513893    6.956974    3.741927     R=1.30
73 H        -5.085964    6.110084    3.562245     R=1.30
74 H        -1.593442    4.902470    2.194214     R=1.30
75 H        -1.078189    3.832277    3.528868     R=1.30
76 H        -1.152970    5.604803    3.795166     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

