ATOMS
1  O        -3.466466   -0.216935    3.061399     R=1.72
2  C        -4.680819   -0.778177    3.034216     R=2.00
3  C        -5.667626   -0.304271    3.928959     R=2.00
4  C        -6.915902   -0.926363    3.918042     R=2.00
5  C        -7.220492   -1.991333    3.054320     R=2.00
6  C        -6.229885   -2.419701    2.164683     R=2.00
7  C        -4.963615   -1.828970    2.143249     R=2.00
8  H        -2.731995   -2.569755   -1.111287     R=1.30
9  H        -7.685734   -0.561358    4.603271     R=1.30
10 H        -6.446368   -3.228498    1.462025     R=1.30
11 H        -5.332881   -0.534338    0.212094     R=1.30
12 V        -2.285681    0.546866    1.863110     R=1.908
13 H        -1.550648   -2.194384    0.163820     R=1.30
14 O        -1.335342    0.816704    0.330402     R=1.72
15 N        -3.353886   -1.163211    0.351302     R=1.83
16 O        -3.837474    1.550483    1.099614     R=1.72
17 C        -1.171712    0.468744   -0.951535     R=2.00
18 C        -1.628145   -0.773237   -1.435732     R=2.00
19 C        -1.446644   -1.085149   -2.782716     R=2.00
20 C        -0.826486   -0.196820   -3.667847     R=2.00
21 C        -0.380404    1.030908   -3.159662     R=2.00
22 C        -0.539441    1.389323   -1.821559     R=2.00
23 C        -2.295218   -1.749403   -0.512857     R=2.00
24 H        -1.818386   -2.043942   -3.152944     R=1.30
25 H         0.098983    1.744695   -3.834605     R=1.30
26 C        -3.953382    1.793525   -0.215503     R=2.00
27 C        -3.807654    3.102350   -0.731598     R=2.00
28 C        -3.907848    3.286181   -2.113731     R=2.00
29 C        -4.151183    2.228002   -3.000857     R=2.00
30 C        -4.335969    0.950481   -2.461401     R=2.00
31 C        -4.237357    0.725712   -1.089904     R=2.00
32 H        -3.771692    4.293997   -2.516331     R=1.30
33 H        -4.529649    0.104257   -3.125692     R=1.30
34 C        -4.478487   -0.617903   -0.474204     R=2.00
35 H        -4.740742   -1.359417   -1.250308     R=1.30
36 C        -3.896797   -2.275093    1.189658     R=2.00
37 H        -4.296785   -3.066590    0.529913     R=1.30
38 H        -3.043515   -2.711834    1.729690     R=1.30
39 H        -4.246066    4.280394    1.026723     R=1.30
40 H        -2.524679    4.162288    0.650892     R=1.30
41 O        -2.122366    2.188477    2.708494     R=1.72
42 H        -4.551555    0.569961    5.554501     R=1.30
43 H        -8.770720   -3.218167    2.175316     R=1.30
44 H        -1.541103   -0.107494   -5.701966     R=1.30
45 H         0.687190    2.603839   -0.525547     R=1.30
46 H        -3.568428    5.209126   -0.336407     R=1.30
47 H        -4.397691    3.480431   -4.752267     R=1.30
48 C        -5.342063    0.844216    4.839724     R=2.00
49 H        -4.950910    1.695408    4.263737     R=1.30
50 H        -6.226925    1.165160    5.402858     R=1.30
51 C        -8.572146   -2.655252    3.096733     R=2.00
52 H        -8.638152   -3.363040    3.938269     R=1.30
53 H        -9.375996   -1.918122    3.231812     R=1.30
54 C        -0.084274    2.720215   -1.299982     R=2.00
55 H         0.322072    3.338950   -2.109073     R=1.30
56 H        -0.921906    3.255974   -0.832403     R=1.30
57 C        -0.693856   -0.522136   -5.131889     R=2.00
58 H         0.223513   -0.093209   -5.557572     R=1.30
59 H        -0.683060   -1.606596   -5.303995     R=1.30
60 C        -4.144563    2.443873   -4.491551     R=2.00
61 H        -3.144775    2.233950   -4.906335     R=1.30
62 H        -4.853419    1.776046   -5.000580     R=1.30
63 C        -3.524128    4.251011    0.196499     R=2.00
64 O        -1.165344   -1.159867    2.148045     R=1.72
65 H         1.463103    1.966754    1.790151     R=1.30
66 O        -0.695235    0.220531    2.937164     R=1.72
67 H        -2.896034    2.643102    2.312662     R=1.30
68 S         0.647491    1.920335    4.010497     R=2.16
69 C         0.982272    2.720474    2.423570     R=2.00
70 C        -0.189021    3.275504    4.875015     R=2.00
71 H         0.462762    4.158178    4.911416     R=1.30
72 H        -0.393135    2.926828    5.894030     R=1.30
73 H        -1.129159    3.494217    4.355789     R=1.30
74 H         1.651152    3.579439    2.559731     R=1.30
75 H         0.028436    3.019635    1.973799     R=1.30
76 H        -1.591599   -1.596236    2.916714     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

