ATOMS
1 O      -5.646560000000       1.468824000000       1.962985000000     R=1.72
2 C      -6.290620000000       0.278885000000       2.048689000000     R=2.00
3 C      -7.699213000000       0.243936000000       1.982480000000     R=2.00
4 C      -8.333214000000      -0.996618000000       2.078986000000     R=2.00
5 C      -7.623163000000      -2.197117000000       2.236543000000     R=2.00
6 C      -6.228742000000      -2.127938000000       2.294344000000     R=2.00
7 C      -5.550611000000      -0.906659000000       2.205219000000     R=2.00
8 H      -1.484005000000      -1.241115000000       1.119320000000     R=1.30
9 H      -9.424960000000      -1.027195000000       2.025940000000     R=1.30
10 H      -5.646742000000      -3.045526000000       2.411972000000     R=1.30
11 H      -4.815528000000      -1.021186000000      -0.174081000000     R=1.30
12 Zr      -4.126774000000       2.160986000000       0.859335000000     R=2.117
13 H      -1.772438000000      -0.111412000000       2.462008000000     R=1.30
14 O      -2.414439000000       2.449130000000       1.912139000000     R=1.72
15 N      -3.372901000000      -0.233122000000       1.117544000000     R=1.83
16 O      -4.136843000000       1.559432000000      -1.048733000000     R=1.72
17 C      -1.425183000000       2.180078000000       0.996564000000     R=2.00
18 C      -1.132509000000       0.837867000000       0.670765000000     R=2.00
19 C      -0.125677000000       0.563298000000      -0.256420000000     R=2.00
20 C       0.578460000000       1.587812000000      -0.892479000000     R=2.00
21 C       0.267337000000       2.913132000000      -0.553649000000     R=2.00
22 C      -0.717545000000       3.238451000000       0.381527000000     R=2.00
23 C      -1.893490000000      -0.251222000000       1.378219000000     R=2.00
24 H       0.085627000000      -0.476673000000      -0.512174000000     R=1.30
25 H       0.809339000000       3.727447000000      -1.041800000000     R=1.30
26 C      -3.329437000000       0.755700000000      -1.784604000000     R=2.00
27 C      -2.716357000000       1.262258000000      -2.947455000000     R=2.00
28 C      -1.878827000000       0.412420000000      -3.672911000000     R=2.00
29 C      -1.626589000000      -0.910785000000      -3.282213000000     R=2.00
30 C      -2.242873000000      -1.378342000000      -2.118339000000     R=2.00
31 C      -3.084063000000      -0.560227000000      -1.358109000000     R=2.00
32 H      -1.393167000000       0.803398000000      -4.571298000000     R=1.30
33 H      -2.050471000000      -2.398707000000      -1.776774000000     R=1.30
34 C      -3.718289000000      -1.050184000000      -0.089653000000     R=2.00
35 H      -3.428042000000      -2.100442000000       0.091269000000     R=1.30
36 C      -4.054285000000      -0.832104000000       2.314750000000     R=2.00
37 H      -3.647127000000      -1.842515000000       2.494497000000     R=1.30
38 H      -3.772737000000      -0.200282000000       3.171750000000     R=1.30
39 H      -4.010668000000       2.920591000000      -3.444903000000     R=1.30
40 H      -2.549928000000       3.373010000000      -2.566075000000     R=1.30
41 O      -4.689475000000       4.029586000000       0.542624000000     R=1.72
42 H      -8.247326000000       2.230441000000       2.621971000000     R=1.30
43 H      -7.645197000000      -4.354732000000       2.387204000000     R=1.30
44 H       1.100678000000       1.223338000000      -2.947751000000     R=1.30
45 H      -0.424892000000       5.359385000000       0.155594000000     R=1.30
46 H      -2.435889000000       2.926400000000      -4.287697000000     R=1.30
47 H      -0.819880000000      -1.664240000000      -5.146962000000     R=1.30
48 C      -8.466077000000       1.524104000000       1.807444000000     R=2.00
49 H      -8.181132000000       2.032616000000       0.873877000000     R=1.30
50 H      -9.546489000000       1.335783000000       1.786581000000     R=1.30
51 C      -8.349454000000      -3.514044000000       2.340899000000     R=2.00
52 H      -8.979060000000      -3.551568000000       3.242985000000     R=1.30
53 H      -9.013816000000      -3.673635000000       1.478716000000     R=1.30
54 C      -1.027111000000       4.662054000000       0.750607000000     R=2.00
55 H      -2.091630000000       4.893245000000       0.597160000000     R=1.30
56 H      -0.821140000000       4.844271000000       1.816310000000     R=1.30
57 C       1.591494000000       1.278475000000      -1.962668000000     R=2.00
58 H       2.367551000000       2.053148000000      -2.022506000000     R=1.30
59 H       2.078211000000       0.309646000000      -1.787347000000     R=1.30
60 C      -0.671459000000      -1.775864000000      -4.063650000000     R=2.00
61 H       0.373630000000      -1.498698000000      -3.850711000000     R=1.30
62 H      -0.790574000000      -2.836926000000      -3.808036000000     R=1.30
63 C      -2.939565000000       2.694559000000      -3.341174000000     R=2.00
64 H      -4.981952000000       4.603382000000      -0.179900000000     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

