ATOMS
1 O      -2.003043000000       0.423872000000       2.622833000000     R=1.72
2 C      -2.393169000000      -0.762661000000       3.116361000000     R=2.00
3 C      -2.864110000000      -0.857793000000       4.443652000000     R=2.00
4 C      -3.287372000000      -2.105430000000       4.904700000000     R=2.00
5 C      -3.265479000000      -3.255960000000       4.099944000000     R=2.00
6 C      -2.796981000000      -3.128070000000       2.789812000000     R=2.00
7 C      -2.351952000000      -1.899226000000       2.287403000000     R=2.00
8 H      -1.785779000000      -1.995085000000      -1.625666000000     R=1.30
9 H      -3.655555000000      -2.182211000000       5.931550000000     R=1.30
10 H      -2.769938000000      -4.005068000000       2.137997000000     R=1.30
11 H      -4.211879000000      -1.204008000000       0.924903000000     R=1.30
12 Zr      -2.001254000000       1.420756000000       0.885861000000     R=2.117
13 H      -0.634486000000      -0.733349000000      -1.123400000000     R=1.30
14 O      -1.928396000000       1.850536000000      -1.081508000000     R=1.72
15 N      -2.397451000000      -0.765084000000      -0.004873000000     R=1.83
16 O      -4.002576000000       1.618523000000       0.884337000000     R=1.72
17 C      -2.244695000000       1.324378000000      -2.279687000000     R=2.00
18 C      -2.181040000000      -0.069122000000      -2.454177000000     R=2.00
19 C      -2.549803000000      -0.624934000000      -3.681066000000     R=2.00
20 C      -2.985061000000       0.174046000000      -4.742961000000     R=2.00
21 C      -3.037200000000       1.560036000000      -4.541188000000     R=2.00
22 C      -2.679171000000       2.157488000000      -3.329769000000     R=2.00
23 C      -1.697438000000      -0.936493000000      -1.329038000000     R=2.00
24 H      -2.509575000000      -1.710576000000      -3.802329000000     R=1.30
25 H      -3.383585000000       2.202838000000      -5.355237000000     R=1.30
26 C      -4.793175000000       1.319319000000      -0.178854000000     R=2.00
27 C      -5.636020000000       2.304680000000      -0.727252000000     R=2.00
28 C      -6.386474000000       1.978326000000      -1.859754000000     R=2.00
29 C      -6.329992000000       0.712213000000      -2.457491000000     R=2.00
30 C      -5.505031000000      -0.251770000000      -1.872549000000     R=2.00
31 C      -4.727977000000       0.028971000000      -0.745409000000     R=2.00
32 H      -7.025065000000       2.748412000000      -2.301164000000     R=1.30
33 H      -5.435407000000      -1.244190000000      -2.323763000000     R=1.30
34 C      -3.876558000000      -1.041773000000      -0.110229000000     R=2.00
35 H      -4.009490000000      -1.991671000000      -0.654618000000     R=1.30
36 C      -1.767201000000      -1.794787000000       0.908774000000     R=2.00
37 H      -1.832233000000      -2.777912000000       0.413345000000     R=1.30
38 H      -0.702786000000      -1.518616000000       0.973563000000     R=1.30
39 H      -5.971259000000       3.626706000000       0.949607000000     R=1.30
40 H      -4.682016000000       4.148088000000      -0.130538000000     R=1.30
41 O       0.271699000000       1.118735000000       0.636965000000     R=1.72
42 H      -1.907176000000       0.830157000000       5.386992000000     R=1.30
43 H      -3.770277000000      -5.345041000000       3.852725000000     R=1.30
44 H      -4.527612000000      -0.608903000000      -6.040608000000     R=1.30
45 H      -3.087756000000       4.155715000000      -4.026123000000     R=1.30
46 H      -6.380236000000       4.325352000000      -0.641152000000     R=1.30
47 H      -7.990021000000       1.024202000000      -3.815913000000     R=1.30
48 C      -2.904484000000       0.373354000000       5.303711000000     R=2.00
49 H      -3.559998000000       1.139976000000       4.863360000000     R=1.30
50 H      -3.269196000000       0.138738000000       6.311290000000     R=1.30
51 C      -3.726754000000      -4.584559000000       4.643260000000     R=2.00
52 H      -3.046130000000      -4.953229000000       5.426255000000     R=1.30
53 H      -4.725711000000      -4.506402000000       5.096884000000     R=1.30
54 C      -2.784287000000       3.638758000000      -3.107357000000     R=2.00
55 H      -3.525629000000       3.858039000000      -2.324073000000     R=1.30
56 H      -1.829174000000       4.062834000000      -2.763297000000     R=1.30
57 C      -3.438660000000      -0.438639000000      -6.043520000000     R=2.00
58 H      -3.215311000000       0.216066000000      -6.897125000000     R=1.30
59 H      -2.957246000000      -1.410034000000      -6.219862000000     R=1.30
60 C      -7.076043000000       0.420453000000      -3.733663000000     R=2.00
61 H      -6.447670000000       0.653172000000      -4.608816000000     R=1.30
62 H      -7.354310000000      -0.639816000000      -3.805480000000     R=1.30
63 C      -5.675894000000       3.674063000000      -0.109051000000     R=2.00
64 H       0.280558000000       4.910292000000       0.993406000000     R=1.30
65 O       0.946473000000       0.322452000000       1.683559000000     R=1.72
66 H      -1.504256000000       5.022051000000       1.029239000000     R=1.30
67 H      -0.689063000000       4.272519000000      -0.378718000000     R=1.30
68 O      -0.730592000000       3.133031000000       1.381172000000     R=1.72
69 C      -0.653162000000       4.405270000000       0.713261000000     R=2.00
70 H       1.810262000000       0.185677000000       1.246952000000     R=1.30
71 H       0.066171000000       2.337563000000       1.074618000000     R=1.30
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

