ATOMS
1 O      -2.097499000000       0.278271000000       2.847484000000     R=1.72
2 C      -2.589035000000      -0.887842000000       3.288323000000     R=2.00
3 C      -3.125060000000      -0.973669000000       4.594256000000     R=2.00
4 C      -3.647339000000      -2.195527000000       5.020957000000     R=2.00
5 C      -3.662249000000      -3.336583000000       4.202752000000     R=2.00
6 C      -3.130664000000      -3.221179000000       2.915813000000     R=2.00
7 C      -2.589578000000      -2.017547000000       2.447073000000     R=2.00
8 H      -1.966823000000      -2.086194000000      -1.477753000000     R=1.30
9 H      -4.066154000000      -2.258680000000       6.029446000000     R=1.30
10 H      -3.134434000000      -4.089390000000       2.251303000000     R=1.30
11 H      -4.384475000000      -1.261332000000       1.050322000000     R=1.30
12 Zr      -2.072705000000       1.397698000000       1.162299000000     R=2.117
13 H      -0.747418000000      -0.931134000000      -0.903305000000     R=1.30
14 O      -1.875770000000       1.785345000000      -0.822963000000     R=1.72
15 N      -2.536035000000      -0.874294000000       0.173666000000     R=1.83
16 O      -4.083457000000       1.535907000000       1.059227000000     R=1.72
17 C      -2.190127000000       1.282330000000      -2.032502000000     R=2.00
18 C      -2.204253000000      -0.109356000000      -2.240015000000     R=2.00
19 C      -2.555830000000      -0.610060000000      -3.495807000000     R=2.00
20 C      -2.902355000000       0.233957000000      -4.554863000000     R=2.00
21 C      -2.883720000000       1.615012000000      -4.320353000000     R=2.00
22 C      -2.538516000000       2.159426000000      -3.080810000000     R=2.00
23 C      -1.817755000000      -1.047175000000      -1.131680000000     R=2.00
24 H      -2.576925000000      -1.693553000000      -3.641100000000     R=1.30
25 H      -3.163914000000       2.296512000000      -5.128586000000     R=1.30
26 C      -4.831320000000       1.276935000000      -0.039638000000     R=2.00
27 C      -5.612747000000       2.303568000000      -0.608735000000     R=2.00
28 C      -6.331449000000       2.025004000000      -1.773708000000     R=2.00
29 C      -6.305646000000       0.765146000000      -2.387425000000     R=2.00
30 C      -5.544870000000      -0.239534000000      -1.784565000000     R=2.00
31 C      -4.801349000000      -0.005354000000      -0.624801000000     R=2.00
32 H      -6.918468000000       2.827616000000      -2.229258000000     R=1.30
33 H      -5.496722000000      -1.228089000000      -2.247830000000     R=1.30
34 C      -4.010945000000      -1.109673000000       0.026661000000     R=2.00
35 H      -4.166396000000      -2.053856000000      -0.525740000000     R=1.30
36 C      -1.968226000000      -1.931693000000       1.082264000000     R=2.00
37 H      -2.058924000000      -2.913786000000       0.584067000000     R=1.30
38 H      -0.894304000000      -1.704874000000       1.168992000000     R=1.30
39 H      -6.001699000000       3.619544000000       1.061314000000     R=1.30
40 H      -4.601389000000       4.074173000000       0.098280000000     R=1.30
41 S       1.332652000000       1.109654000000       0.161710000000     R=2.16
42 H      -2.108361000000       0.632975000000       5.616518000000     R=1.30
43 H      -4.258778000000      -5.395274000000       3.909589000000     R=1.30
44 H      -4.433671000000      -0.477350000000      -5.906617000000     R=1.30
45 H      -2.827649000000       4.191604000000      -3.738726000000     R=1.30
46 H      -6.242001000000       4.364732000000      -0.542355000000     R=1.30
47 H      -7.913198000000       1.143889000000      -3.792603000000     R=1.30
48 C      -3.128763000000       0.248576000000       5.468464000000     R=2.00
49 H      -3.699198000000       1.065075000000       5.000187000000     R=1.30
50 H      -3.568252000000       0.031195000000       6.449990000000     R=1.30
51 C      -4.233350000000      -4.638831000000       4.704903000000     R=2.00
52 H      -3.634968000000      -5.044981000000       5.535145000000     R=1.30
53 H      -5.258469000000      -4.508206000000       5.082422000000     R=1.30
54 C      -2.575037000000       3.639363000000      -2.824920000000     R=2.00
55 H      -3.324263000000       3.877273000000      -2.054689000000     R=1.30
56 H      -1.611413000000       4.011774000000      -2.446260000000     R=1.30
57 C      -3.342211000000      -0.324660000000      -5.884266000000     R=2.00
58 H      -3.092770000000       0.355612000000      -6.710263000000     R=1.30
59 H      -2.873791000000      -1.297530000000      -6.087166000000     R=1.30
60 C      -7.011496000000       0.523417000000      -3.696816000000     R=2.00
61 H      -6.350550000000       0.771259000000      -4.543541000000     R=1.30
62 H      -7.303622000000      -0.529656000000      -3.809506000000     R=1.30
63 C      -5.620765000000       3.664187000000       0.029829000000     R=2.00
64 O       0.168725000000       0.711528000000       1.003490000000     R=1.72
65 C       1.112540000000       2.801361000000      -0.341592000000     R=2.00
66 O      -1.464445000000       3.151862000000       1.907844000000     R=1.72
67 H      -1.226396000000       3.394749000000       2.815669000000     R=1.30
68 C       2.732125000000       1.121892000000       1.259493000000     R=2.00
69 H       2.513016000000       1.792262000000       2.097349000000     R=1.30
70 H       3.608904000000       1.453236000000       0.692826000000     R=1.30
71 H       2.855625000000       0.088707000000       1.604415000000     R=1.30
72 H       0.890776000000       3.400253000000       0.548973000000     R=1.30
73 H       0.246824000000       2.793560000000      -1.014882000000     R=1.30
74 H       2.025130000000       3.125235000000      -0.852511000000     R=1.30
75 O       1.617912000000       0.273961000000      -0.999960000000     R=1.72
END


SOLVATION
    Surf Esurf
    Solv 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

