ATOMS
1  O        -5.729465    1.726516    0.771784    R=1.72
2  C        -6.436140    0.985896    1.664617    R=2.00
3  C        -7.815616    1.265126    1.804531    R=2.00
4  C        -8.574998    0.479273    2.669525    R=2.00
5  C        -8.021770   -0.587181    3.394231    R=2.00
6  C        -6.659074   -0.836867    3.237599    R=2.00
7  C        -5.848367   -0.059531    2.397879    R=2.00
8  H        -2.113960   -1.405365    1.488360    R=1.30
9  H        -9.637771    0.709144    2.782940    R=1.30
10 H        -6.198067   -1.659216    3.791249    R=1.30
11 H        -5.239893   -0.485724   -0.015739    R=1.30
12 W        -3.904645    2.434329    0.942476     R=1.992
13 H        -1.943363    0.096819    2.431842    R=1.30
14 O        -1.926292    2.402555    1.017843    R=1.72
15 N        -3.612991    0.070331    1.178223    R=1.83
16 O        -3.628322    1.876640   -0.971104    R=1.72
17 C        -1.086945    1.613759    0.299951    R=2.00
18 C        -1.181972    0.223623    0.444371    R=2.00
19 C        -0.344514   -0.599703   -0.307514    R=2.00
20 C         0.582435   -0.059778   -1.204958    R=2.00
21 C         0.673093    1.335932   -1.303216    R=2.00
22 C        -0.144683    2.195847   -0.563777    R=2.00
23 C        -2.173755   -0.306549    1.435184    R=2.00
24 H        -0.440709   -1.683755   -0.213145    R=1.30
25 H         1.396793    1.773663   -1.995882    R=1.30
26 C        -3.339659    0.836336   -1.766596    R=2.00
27 C        -2.809252    1.069699   -3.054508    R=2.00
28 C        -2.497052   -0.033318   -3.853230    R=2.00
29 C        -2.680641   -1.353114   -3.421337    R=2.00
30 C        -3.213623   -1.551863   -2.143251    R=2.00
31 C        -3.546685   -0.478853   -1.316235    R=2.00
32 H        -2.080464    0.147630   -4.847915    R=1.30
33 H        -3.363344   -2.569531   -1.772702    R=1.30
34 C        -4.168504   -0.720635    0.025645    R=2.00
35 H        -4.076681   -1.787648    0.287031    R=1.30
36 C        -4.371086   -0.355965    2.395527    R=2.00
37 H        -4.222129   -1.441806    2.522841    R=1.30
38 H        -3.900366    0.149131    3.248970    R=1.30
39 H        -3.449937    3.110745   -3.380456    R=1.30
40 H        -1.757397    2.938698   -2.926721    R=1.30
41 O        -4.073288    2.414379    2.675005    R=1.72
42 H        -7.780014    3.292894    1.082441    R=1.30
43 H        -8.310774   -2.267956    4.724898    R=1.30
44 H         0.847693   -1.213469   -3.004009    R=1.30
45 H         0.714930    3.989128   -1.397791    R=1.30
46 H        -2.269926    2.497184   -4.574134    R=1.30
47 H        -2.330248   -2.271994   -5.350816    R=1.30
48 C        -8.427476    2.406295    1.042997    R=2.00
49 H        -8.557076    2.152341   -0.019898    R=1.30
50 H        -9.413680    2.663234    1.448687    R=1.30
51 C        -8.873948   -1.417593    4.319169    R=2.00
52 H        -9.236964   -0.818437    5.168340    R=1.30
53 H        -9.760823   -1.810811    3.800890    R=1.30
54 C        -0.062533    3.691427   -0.683613    R=2.00
55 H        -1.020448    4.112529   -1.028465    R=1.30
56 H         0.158749    4.158957    0.287438    R=1.30
57 C         1.408559   -0.955286   -2.091053    R=2.00
58 H         2.340825   -0.466770   -2.404425    R=1.30
59 H         1.663187   -1.898060   -1.587954    R=1.30
60 C        -2.268088   -2.519178   -4.282351    R=2.00
61 H        -1.226013   -2.812881   -4.075599    R=1.30
62 H        -2.896602   -3.400608   -4.095215    R=1.30
63 C        -2.562326    2.476194   -3.516972    R=2.00
64 H        -2.692062    4.813402    0.635967    R=1.30
65 O        -4.565813    4.166200    0.233065    R=1.72
66 O        -3.401435    4.591883    1.278706    R=1.72
67 S        -5.911322    3.903986   -2.006903    R=2.16
68 C        -7.458335    4.818999   -1.756324    R=2.00
69 C        -6.560614    2.264424   -2.430809    R=2.00
70 H        -6.990222    1.784058   -1.544975    R=1.30
71 H        -5.709575    1.668927   -2.779401    R=1.30
72 H        -7.305414    2.349851   -3.232137    R=1.30
73 H        -7.176287    5.838848   -1.469499    R=1.30
74 H        -8.054291    4.368272   -0.955065    R=1.30
75 H        -8.038786    4.848483   -2.687605    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

