ATOMS
1 O      -6.048512000000       1.217792000000       0.797235000000     R=1.72
2 C      -6.501795000000       0.240367000000       1.608009000000     R=2.00
3 C      -7.910812000000       0.126622000000       1.743228000000     R=2.00
4 C      -8.435540000000      -0.904299000000       2.519438000000     R=2.00
5 C      -7.619532000000      -1.847197000000       3.162813000000     R=2.00
6 C      -6.239655000000      -1.710459000000       3.017974000000     R=2.00
7 C      -5.660705000000      -0.676035000000       2.268280000000     R=2.00
8 H      -1.682674000000      -0.940207000000       1.350583000000     R=1.30
9 H      -9.521486000000      -0.973914000000       2.627644000000     R=1.30
10 H      -5.577605000000      -2.427338000000       3.511397000000     R=1.30
11 H      -4.955854000000      -0.725682000000      -0.179395000000     R=1.30
12 Mo      -4.489537000000       2.436637000000       1.028593000000     R=1.992
13 H      -1.954088000000       0.461784000000       2.412326000000     R=1.30
14 O      -2.551861000000       2.831184000000       1.128693000000     R=1.72
15 N      -3.530119000000       0.086859000000       1.107694000000     R=1.83
16 O      -3.979007000000       1.975343000000      -0.963130000000     R=1.72
17 C      -1.512468000000       2.339945000000       0.425887000000     R=2.00
18 C      -1.222196000000       0.967377000000       0.481312000000     R=2.00
19 C      -0.149740000000       0.466019000000      -0.255224000000     R=2.00
20 C       0.640669000000       1.302698000000      -1.050180000000     R=2.00
21 C       0.348126000000       2.673490000000      -1.059479000000     R=2.00
22 C      -0.714147000000       3.217885000000      -0.333477000000     R=2.00
23 C      -2.055132000000       0.098850000000       1.378677000000     R=2.00
24 H       0.052344000000      -0.607605000000      -0.231698000000     R=1.30
25 H       0.958353000000       3.343211000000      -1.671688000000     R=1.30
26 C      -3.313356000000       1.098852000000      -1.732211000000     R=2.00
27 C      -2.685786000000       1.541245000000      -2.922627000000     R=2.00
28 C      -2.021741000000       0.602749000000      -3.717389000000     R=2.00
29 C      -1.942973000000      -0.753786000000      -3.384286000000     R=2.00
30 C      -2.559394000000      -1.163109000000      -2.197469000000     R=2.00
31 C      -3.233663000000      -0.262162000000      -1.373919000000     R=2.00
32 H      -1.524570000000       0.955030000000      -4.625816000000     R=1.30
33 H      -2.493360000000      -2.209600000000      -1.887428000000     R=1.30
34 C      -3.860496000000      -0.730080000000      -0.096761000000     R=2.00
35 H      -3.552693000000      -1.773500000000       0.096111000000     R=1.30
36 C      -4.158288000000      -0.571201000000       2.280165000000     R=2.00
37 H      -3.733025000000      -1.587007000000       2.377073000000     R=1.30
38 H      -3.847261000000      -0.002604000000       3.166996000000     R=1.30
39 H      -3.524146000000       3.217598000000      -4.010497000000     R=1.30
40 H      -2.840286000000       3.632214000000      -2.431496000000     R=1.30
41 O      -4.610696000000       2.094125000000       2.706283000000     R=1.72
42 H      -9.793999000000       1.154913000000       1.552924000000     R=1.30
43 H      -7.445152000000      -3.628033000000       4.378084000000     R=1.30
44 H       1.315292000000       0.434387000000      -2.902168000000     R=1.30
45 H      -0.418339000000       5.214339000000      -1.089940000000     R=1.30
46 H      -1.762739000000       3.272552000000      -3.805314000000     R=1.30
47 H      -1.125118000000      -1.403873000000      -5.281536000000     R=1.30
48 C      -8.812125000000       1.122117000000       1.063901000000     R=2.00
49 H      -8.369348000000       2.126887000000       1.071701000000     R=1.30
50 H      -8.985770000000       0.852895000000       0.009176000000     R=1.30
51 C      -8.220767000000      -2.957829000000       3.985300000000     R=2.00
52 H      -8.786626000000      -2.558356000000       4.840745000000     R=1.30
53 H      -8.922577000000      -3.561587000000       3.390532000000     R=1.30
54 C      -1.029108000000       4.686514000000      -0.346949000000     R=2.00
55 H      -2.091471000000       4.860059000000      -0.572549000000     R=1.30
56 H      -0.847549000000       5.141271000000       0.638887000000     R=1.30
57 C       1.727477000000       0.735001000000      -1.924929000000     R=2.00
58 H       2.521045000000       1.470324000000      -2.114809000000     R=1.30
59 H       2.182991000000      -0.158060000000      -1.475532000000     R=1.30
60 C      -1.159714000000      -1.723464000000      -4.231143000000     R=2.00
61 H      -0.118127000000      -1.802127000000      -3.879218000000     R=1.30
62 H      -1.591708000000      -2.733032000000      -4.192351000000     R=1.30
63 C      -2.703250000000       2.994740000000      -3.311731000000     R=2.00
64 H      -4.872912000000       4.859849000000       0.820422000000     R=1.30
65 O      -5.831988000000       3.563137000000      -0.229761000000     R=1.72
66 O      -4.721196000000       4.314825000000       1.618724000000     R=1.72
67 S      -5.991688000000       3.021055000000      -2.064697000000     R=2.16
68 C      -7.514806000000       3.950851000000      -2.312768000000     R=2.00
69 C      -6.674864000000       1.360819000000      -2.140269000000     R=2.00
70 H      -7.405962000000       1.223698000000      -1.340516000000     R=1.30
71 H      -5.848384000000       0.652914000000      -2.047243000000     R=1.30
72 H      -7.142976000000       1.285616000000      -3.131628000000     R=1.30
73 H      -7.268536000000       5.008068000000      -2.172727000000     R=1.30
74 H      -8.275885000000       3.626560000000      -1.595194000000     R=1.30
75 H      -7.839698000000       3.771742000000      -3.346360000000     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



SCANFREQ -1000 0

GEOMETRY
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

