ATOMS
1 O      -1.437324000000       0.140379000000       2.577588000000     R=1.72
2 C      -2.017573000000      -0.947108000000       3.142326000000     R=2.00
3 C      -2.363919000000      -0.935008000000       4.509637000000     R=2.00
4 C      -2.987173000000      -2.067026000000       5.039694000000     R=2.00
5 C      -3.279085000000      -3.202762000000       4.268339000000     R=2.00
6 C      -2.920732000000      -3.183035000000       2.918335000000     R=2.00
7 C      -2.289668000000      -2.071879000000       2.346722000000     R=2.00
8 H      -1.998353000000      -2.250927000000      -1.624093000000     R=1.30
9 H      -3.263087000000      -2.058614000000       6.097663000000     R=1.30
10 H      -3.132183000000      -4.051315000000       2.289107000000     R=1.30
11 H      -4.215127000000      -1.283667000000       1.051249000000     R=1.30
12 Zr      -1.884462000000       1.237338000000       0.896752000000     R=2.117
13 H      -0.694224000000      -1.147113000000      -1.137028000000     R=1.30
14 O      -1.545695000000       1.573264000000      -1.042499000000     R=1.72
15 N      -2.411939000000      -0.996416000000       0.042903000000     R=1.83
16 O      -3.845795000000       1.513891000000       1.039397000000     R=1.72
17 C      -2.007131000000       1.108873000000      -2.231217000000     R=2.00
18 C      -2.179608000000      -0.273733000000      -2.405794000000     R=2.00
19 C      -2.685360000000      -0.751823000000      -3.617001000000     R=2.00
20 C      -3.040089000000       0.117248000000      -4.652352000000     R=2.00
21 C      -2.868026000000       1.492230000000      -4.442511000000     R=2.00
22 C      -2.360670000000       2.013754000000      -3.249178000000     R=2.00
23 C      -1.780703000000      -1.216193000000      -1.309687000000     R=2.00
24 H      -2.822103000000      -1.828669000000      -3.743484000000     R=1.30
25 H      -3.150731000000       2.190565000000      -5.234766000000     R=1.30
26 C      -4.642615000000       1.264962000000      -0.049959000000     R=2.00
27 C      -5.392495000000       2.322496000000      -0.600187000000     R=2.00
28 C      -6.178077000000       2.058208000000      -1.723282000000     R=2.00
29 C      -6.240274000000       0.787873000000      -2.313091000000     R=2.00
30 C      -5.492192000000      -0.239306000000      -1.735989000000     R=2.00
31 C      -4.681734000000      -0.023333000000      -0.616325000000     R=2.00
32 H      -6.752961000000       2.878646000000      -2.160809000000     R=1.30
33 H      -5.512559000000      -1.235301000000      -2.183547000000     R=1.30
34 C      -3.907777000000      -1.159707000000       0.001940000000     R=2.00
35 H      -4.142380000000      -2.099401000000      -0.526060000000     R=1.30
36 C      -1.833618000000      -2.081125000000       0.918703000000     R=2.00
37 H      -2.067165000000      -3.057978000000       0.462424000000     R=1.30
38 H      -0.741253000000      -1.948802000000       0.876205000000     R=1.30
39 H      -5.582860000000       3.669844000000       1.077733000000     R=1.30
40 H      -4.284458000000       4.089050000000      -0.035280000000     R=1.30
41 O      -0.897622000000       2.714791000000       1.830748000000     R=1.72
42 H      -0.985051000000       0.467309000000       5.406289000000     R=1.30
43 H      -4.149737000000      -5.178465000000       4.135830000000     R=1.30
44 H      -4.743542000000      -0.438975000000      -5.859893000000     R=1.30
45 H      -2.462179000000       4.056235000000      -3.926397000000     R=1.30
46 H      -5.974583000000       4.393834000000      -0.506673000000     R=1.30
47 H      -7.981368000000       1.121814000000      -3.559411000000     R=1.30
48 C      -2.068293000000       0.276390000000       5.348164000000     R=2.00
49 H      -2.528260000000       1.180311000000       4.921346000000     R=1.30
50 H      -2.443772000000       0.147847000000       6.370546000000     R=1.30
51 C      -3.958238000000      -4.399192000000       4.884776000000     R=2.00
52 H      -3.341870000000      -4.841084000000       5.682258000000     R=1.30
53 H      -4.920742000000      -4.121196000000       5.339479000000     R=1.30
54 C      -2.226318000000       3.491309000000      -3.016318000000     R=2.00
55 H      -2.910584000000       3.821342000000      -2.219243000000     R=1.30
56 H      -1.211367000000       3.756636000000      -2.687369000000     R=1.30
57 C      -3.644460000000      -0.403046000000      -5.931273000000     R=2.00
58 H      -3.394767000000       0.240909000000      -6.785330000000     R=1.30
59 H      -3.299159000000      -1.421617000000      -6.153974000000     R=1.30
60 C      -7.038593000000       0.557652000000      -3.569626000000     R=2.00
61 H      -6.470317000000       0.888245000000      -4.453748000000     R=1.30
62 H      -7.272819000000      -0.506093000000      -3.707746000000     R=1.30
63 C      -5.310522000000       3.692225000000       0.012512000000     R=2.00
64 H      -0.545050000000       1.669021000000       3.378860000000     R=1.30
65 O      -0.266756000000       2.589363000000       3.135183000000     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

