ATOMS
1 O      -5.996978000000       1.517933000000       1.580030000000     R=1.72
2 C      -6.445080000000       0.258320000000       1.700724000000     R=2.00
3 C      -7.763076000000      -0.055786000000       1.307240000000     R=2.00
4 C      -8.196092000000      -1.370333000000       1.489062000000     R=2.00
5 C      -7.373775000000      -2.372501000000       2.030322000000     R=2.00
6 C      -6.064781000000      -2.029931000000       2.383564000000     R=2.00
7 C      -5.594352000000      -0.723090000000       2.228004000000     R=2.00
8 H      -1.691547000000      -0.450231000000       2.339698000000     R=1.30
9 H      -9.215374000000      -1.626589000000       1.188126000000     R=1.30
10 H      -5.391521000000      -2.791980000000       2.783673000000     R=1.30
11 H      -4.490296000000      -1.011480000000       0.224868000000     R=1.30
12 Mo      -4.372004000000       2.417465000000       0.975640000000     R=1.992
13 H      -2.129539000000       1.207371000000       2.815166000000     R=1.30
14 O      -2.588174000000       2.725131000000       0.221068000000     R=1.72
15 N      -3.443121000000       0.326001000000       1.441438000000     R=1.83
16 O      -4.686206000000       1.573235000000      -0.846239000000     R=1.72
17 C      -1.386135000000       2.129842000000       0.140234000000     R=2.00
18 C      -1.057251000000       1.033050000000       0.952639000000     R=2.00
19 C       0.186266000000       0.417074000000       0.797965000000     R=2.00
20 C       1.121722000000       0.877446000000      -0.133709000000     R=2.00
21 C       0.771816000000       1.984367000000      -0.918717000000     R=2.00
22 C      -0.466766000000       2.618666000000      -0.813373000000     R=2.00
23 C      -2.039968000000       0.523049000000       1.959873000000     R=2.00
24 H       0.424578000000      -0.450021000000       1.419089000000     R=1.30
25 H       1.485258000000       2.361342000000      -1.656247000000     R=1.30
26 C      -3.779060000000       0.946050000000      -1.613938000000     R=2.00
27 C      -3.526393000000       1.383801000000      -2.928915000000     R=2.00
28 C      -2.510480000000       0.749353000000      -3.650215000000     R=2.00
29 C      -1.748047000000      -0.297390000000      -3.114415000000     R=2.00
30 C      -2.053512000000      -0.738519000000      -1.821855000000     R=2.00
31 C      -3.057030000000      -0.132401000000      -1.068204000000     R=2.00
32 H      -2.292337000000       1.101529000000      -4.662111000000     R=1.30
33 H      -1.478098000000      -1.554794000000      -1.378671000000     R=1.30
34 C      -3.454404000000      -0.649534000000       0.282182000000     R=2.00
35 H      -2.819100000000      -1.502578000000       0.567993000000     R=1.30
36 C      -4.199073000000      -0.321185000000       2.587935000000     R=2.00
37 H      -3.627947000000      -1.205952000000       2.908910000000     R=1.30
38 H      -4.187813000000       0.409365000000       3.407968000000     R=1.30
39 H      -5.393256000000       2.387279000000      -3.353530000000     R=1.30
40 H      -4.055001000000       3.479752000000      -2.988402000000     R=1.30
41 O      -3.821688000000       2.873382000000       2.549016000000     R=1.72
42 H      -8.819317000000       1.820836000000       1.434132000000     R=1.30
43 H      -7.079366000000      -4.482987000000       2.403921000000     R=1.30
44 H       2.357433000000      -0.616090000000      -1.089081000000     R=1.30
45 H      -0.012773000000       4.070881000000      -2.336484000000     R=1.30
46 H      -4.107873000000       2.666241000000      -4.562939000000     R=1.30
47 H      -0.687192000000      -0.712376000000      -4.956568000000     R=1.30
48 C      -8.638075000000       1.009751000000       0.713022000000     R=2.00
49 H      -8.151305000000       1.472383000000      -0.157910000000     R=1.30
50 H      -9.605219000000       0.596368000000       0.402254000000     R=1.30
51 C      -7.896685000000      -3.771652000000       2.228006000000     R=2.00
52 H      -8.573794000000      -3.821059000000       3.095183000000     R=1.30
53 H      -8.468456000000      -4.112018000000       1.353091000000     R=1.30
54 C      -0.849769000000       3.772711000000      -1.693496000000     R=2.00
55 H      -1.699127000000       3.496073000000      -2.335876000000     R=1.30
56 H      -1.168235000000       4.643188000000      -1.101707000000     R=1.30
57 C       2.440433000000       0.174755000000      -0.326082000000     R=2.00
58 H       3.220274000000       0.871007000000      -0.662950000000     R=1.30
59 H       2.781375000000      -0.302191000000       0.602763000000     R=1.30
60 C      -0.593191000000      -0.891896000000      -3.877387000000     R=2.00
61 H       0.358126000000      -0.443213000000      -3.547853000000     R=1.30
62 H      -0.514496000000      -1.975543000000      -3.712673000000     R=1.30
63 C      -4.312878000000       2.533168000000      -3.493466000000     R=2.00
64 H      -4.650900000000       4.315369000000      -0.894460000000     R=1.30
65 O      -5.770525000000       3.776108000000       0.583285000000     R=1.72
66 O      -4.606474000000       4.492920000000       0.075960000000     R=1.72
END

GUIBONDS
1 1 2 1.0
2 1 12 1.0
3 2 7 1.5
4 2 3 1.5
5 3 4 1.5
6 3 48 1.0
7 4 9 1.0
8 4 5 1.5
9 5 6 1.5
10 5 51 1.0
11 6 10 1.0
12 6 7 1.5
13 7 36 1.0
14 8 23 1.0
15 11 34 1.0
16 12 41 3
17 12 14 1.0
18 12 65 1.0
19 12 16 1.0
20 12 66 1.0
21 12 15 1.0
22 13 23 1.0
23 14 17 1.0
24 15 23 1.0
25 15 34 1.0
26 15 36 1.0
27 16 26 1.0
28 17 18 1.5
29 17 22 1.5
30 18 19 1.5
31 18 23 1.0
32 19 24 1.0
33 19 20 1.5
34 20 21 1.5
35 20 57 1.0
36 21 25 1.0
37 21 22 1.5
38 22 54 1.0
39 26 31 1.5
40 26 27 1.5
41 27 28 1.5
42 27 63 1.0
43 28 32 1.0
44 28 29 1.5
45 29 30 1.5
46 29 60 1.0
47 30 33 1.0
48 30 31 1.5
49 31 34 1.0
50 34 35 1.0
51 36 38 1.0
52 36 37 1.0
53 39 63 1.0
54 40 63 1.0
55 42 48 1.0
56 43 51 1.0
57 44 57 1.0
58 45 54 1.0
59 46 63 1.0
60 47 60 1.0
61 48 50 1.0
62 48 49 1.0
63 51 53 1.0
64 51 52 1.0
65 54 56 1.0
66 54 55 1.0
67 57 58 1.0
68 57 59 1.0
69 60 62 1.0
70 60 61 1.0
71 64 66 1.0
72 65 66 1.0
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

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

