ATOMS
1  O        -5.977743    1.297020    1.531038    R=1.72
2  C        -6.513216    0.080148    1.722918    R=2.00
3  C        -7.912837   -0.044602    1.556526     R=2.00
4  C        -8.478800   -1.304475    1.732593     R=2.00
5  C        -7.711148   -2.431293    2.069578     R=2.00
6  C        -6.331760   -2.267328    2.232479    R=2.00
7  C        -5.712420   -1.024917    2.072613     R=2.00
8  H        -1.695454   -1.159862    1.930694     R=1.30
9  H        -9.557625   -1.414138    1.598989     R=1.30
10 H        -5.715232   -3.128544    2.499203     R=1.30
11 H        -4.625727   -1.254270   -0.081260     R=1.30
12 Mo       -4.389753    2.165881    0.955000      R=1.992
13 H        -2.091064    0.359513    2.759202    R=1.30
14 O        -2.571067    2.424113    0.486863   R=1.72
15 N        -3.463669   -0.178196    1.282634    R=1.83
16 O        -4.672708    1.390195   -0.806566    R=1.72
17 C        -1.360188    1.857909    0.339082    R=2.00
18 C        -1.069250    0.599182    0.900609    R=2.00
19 C         0.196975    0.057897    0.687190    R=2.00
20 C         1.173199    0.729980   -0.060397    R=2.00
21 C         0.852257    1.985395   -0.593585   R=2.00
22 C        -0.401214    2.570020   -0.414971    R=2.00
23 C        -2.054700   -0.127453    1.773675   R=2.00
24 H         0.426982   -0.920756    1.114851    R=1.30
25 H         1.601743    2.526335   -1.175987    R=1.30
26 C        -3.706466    0.868251   -1.608624    R=2.00
27 C        -3.333699    1.546582   -2.782372     R=2.00
28 C        -2.289438    1.002380   -3.536102     R=2.00
29 C        -1.627131   -0.175338   -3.162881      R=2.00
30 C        -2.050562   -0.836223   -2.003398      R=2.00
31 C        -3.082528   -0.326429   -1.217399     R=2.00
32 H        -1.969572    1.530169   -4.438133     R=1.30
33 H        -1.546399   -1.752009   -1.686546      R=1.30
34 C        -3.560319   -1.005947    0.032257     R=2.00
35 H        -3.010858   -1.950290    0.187373     R=1.30
36 C        -4.245811   -0.867988    2.356417     R=2.00
37 H        -3.809232   -1.865886    2.538440     R=1.30
38 H        -4.103847   -0.274830    3.271243    R=1.30
39 H        -5.089972    2.646085   -3.386595    R=1.30
40 H        -3.998124    3.551585   -2.342164     R=1.30
41 O        -4.982242    3.761334    0.729408    R=1.72
42 H        -8.604590    1.961708    1.931378    R=1.30
43 H        -7.621011   -4.565411    2.404077    R=1.30
44 H         2.466774   -0.580735   -1.180812     R=1.30
45 H         0.123061    4.389679   -1.434557     R=1.30
46 H        -3.559050    3.273449   -4.049512     R=1.30
47 H        -0.489345   -0.359283   -4.996536      R=1.30
48 C        -8.729346    1.160037    1.189002    R=2.00
49 H        -8.406134    1.575960    0.223341     R=1.30
50 H        -9.793218    0.904535    1.121764    R=1.30
51 C        -8.365466   -3.772602    2.259659     R=2.00
52 H        -9.027450   -3.764094    3.139117     R=1.30
53 H        -8.988479   -4.035727    1.392602    R=1.30
54 C        -0.760829    3.898784   -1.010565     R=2.00
55 H        -1.503348    3.770589   -1.812892     R=1.30
56 H        -1.217253    4.557538   -0.258270    R=1.30
57 C         2.515481    0.099624   -0.315351    R=2.00
58 H         3.279017    0.856657   -0.536223    R=1.30
59 H         2.850514   -0.495070    0.545086    R=1.30
60 C        -0.446639   -0.682347   -3.948151      R=2.00
61 H         0.492143   -0.293422   -3.521319     R=1.30
62 H        -0.386085   -1.778688   -3.923064      R=1.30
63 C        -4.026760    2.822866   -3.165879     R=2.00
64 Cl       -3.726121    2.443582    3.271371      R=2.05
65 O        -2.391305    5.256514    2.120546    R=1.72
66 O        -3.709994    5.900676    2.109703    R=1.72
67 H        -4.202772    5.308397    1.490218    R=1.30
68 H        -2.568770    4.475337    2.695037    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

