ATOMS
1  O        -5.748728    1.709985    0.754740    R=1.72
2  C        -6.437653    0.978397    1.661857    R=2.00
3  C        -7.818546    1.257924    1.817045    R=2.00
4  C        -8.568347    0.483970    2.699520    R=2.00
5  C        -8.007734   -0.574565    3.430888    R=2.00
6  C        -6.647911   -0.827432    3.259896    R=2.00
7  C        -5.844575   -0.061934    2.402026    R=2.00
8  H        -2.103791   -1.419472    1.466408    R=1.30
9  H        -9.629665    0.716111    2.821845    R=1.30
10 H        -6.181478   -1.644278    3.817333    R=1.30
11 H        -5.244318   -0.503929   -0.019235    R=1.30
12 Mo       -3.920580    2.434396    0.928765     R=1.992
13 H        -1.946927    0.074005    2.426417    R=1.30
14 O        -1.936861    2.395831    1.049485    R=1.72
15 N        -3.616092    0.047060    1.173667    R=1.83
16 O        -3.611613    1.863723   -0.972222    R=1.72
17 C        -1.101873    1.623764    0.316381    R=2.00
18 C        -1.187545    0.229269    0.441630    R=2.00
19 C        -0.349629   -0.579626   -0.324670    R=2.00
20 C         0.572074   -0.023974   -1.218129    R=2.00
21 C         0.655064    1.373400   -1.298895    R=2.00
22 C        -0.165898    2.219879   -0.548044    R=2.00
23 C        -2.175714   -0.320034    1.425457    R=2.00
24 H        -0.441097   -1.665332   -0.244969    R=1.30
25 H         1.374015    1.823554   -1.988675    R=1.30
26 C        -3.331158    0.824195   -1.764136    R=2.00
27 C        -2.793427    1.054777   -3.052277    R=2.00
28 C        -2.489071   -0.048613   -3.852436    R=2.00
29 C        -2.685813   -1.367729   -3.424265    R=2.00
30 C        -3.223038   -1.565041   -2.147239    R=2.00
31 C        -3.549622   -0.492750   -1.317868    R=2.00
32 H        -2.068222    0.130786   -4.845560    R=1.30
33 H        -3.381706   -2.582541   -1.779898    R=1.30
34 C        -4.172442   -0.737850    0.023476    R=2.00
35 H        -4.081885   -1.807285    0.278577    R=1.30
36 C        -4.369515   -0.369317    2.390513    R=2.00
37 H        -4.229714   -1.456660    2.523256    R=1.30
38 H        -3.891632    0.130776    3.243473    R=1.30
39 H        -3.412128    3.102120   -3.383786    R=1.30
40 H        -1.724666    2.912843   -2.918094    R=1.30
41 O        -4.112132    2.387687    2.638476    R=1.72
42 H        -7.822407    3.299685    1.137638    R=1.30
43 H        -8.285774   -2.244758    4.776824    R=1.30
44 H         0.839008   -1.140509   -3.039791    R=1.30
45 H         0.672733    4.024544   -1.378290    R=1.30
46 H        -2.230299    2.475333   -4.568578    R=1.30
47 H        -2.313399   -2.275569   -5.354095    R=1.30
48 C        -8.438233    2.393333    1.053559    R=2.00
49 H        -8.516988    2.160101   -0.018727    R=1.30
50 H        -9.446469    2.611221    1.426455    R=1.30
51 C        -8.848691   -1.391001    4.377847    R=2.00
52 H        -9.187578   -0.783477    5.231163    R=1.30
53 H        -9.750403   -1.777615    3.880696    R=1.30
54 C        -0.091576    3.716935   -0.654100    R=2.00
55 H        -1.056677    4.136404   -0.980615    R=1.30
56 H         0.144660    4.177091    0.316966    R=1.30
57 C         1.398017   -0.903736   -2.119805    R=2.00
58 H         2.333230   -0.412550   -2.420063    R=1.30
59 H         1.647082   -1.857879   -1.635720    R=1.30
60 C        -2.282668   -2.535040   -4.287287    R=2.00
61 H        -1.253377   -2.856551   -4.058854    R=1.30
62 H        -2.936876   -3.402419   -4.123828    R=1.30
63 C        -2.530230    2.458458   -3.513487    R=2.00
64 H        -2.701904    4.794188    0.703012    R=1.30
65 O        -4.559545    4.162946    0.198024    R=1.72
66 O        -3.447861    4.589767    1.308132    R=1.72
67 S        -5.827151    3.897046   -2.019552    R=2.16
68 C        -7.334051    4.849002   -1.683890    R=2.00
69 C        -6.532685    2.274667   -2.420166    R=2.00
70 H        -6.891176    1.783173   -1.509184    R=1.30
71 H        -5.722492    1.676321   -2.851832    R=1.30
72 H        -7.340524    2.387514   -3.154054    R=1.30
73 H        -7.009509    5.860657   -1.413626    R=1.30
74 H        -7.893322    4.411856   -0.849705    R=1.30
75 H        -7.964531    4.894152   -2.581230    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

