ATOMS
1 O      -1.993134000000       0.472751000000       2.478197000000     R=1.72
2 C      -2.374517000000      -0.681010000000       3.040519000000     R=2.00
3 C      -2.843744000000      -0.699535000000       4.371837000000     R=2.00
4 C      -3.256741000000      -1.922427000000       4.902048000000     R=2.00
5 C      -3.226408000000      -3.116678000000       4.163012000000     R=2.00
6 C      -2.761289000000      -3.061659000000       2.845807000000     R=2.00
7 C      -2.325866000000      -1.860569000000       2.276091000000     R=2.00
8 H      -1.736454000000      -2.001558000000      -1.645412000000     R=1.30
9 H      -3.625230000000      -1.944257000000       5.931277000000     R=1.30
10 H      -2.730270000000      -3.973870000000       2.244585000000     R=1.30
11 H      -4.187986000000      -1.270719000000       0.867162000000     R=1.30
12 Ti      -2.036238000000       1.300399000000       0.814105000000     R=1.992
13 H      -0.594472000000      -0.736047000000      -1.120519000000     R=1.30
14 O      -1.976022000000       1.799814000000      -0.999210000000     R=1.72
15 N      -2.368007000000      -0.782688000000      -0.025799000000     R=1.83
16 O      -3.895221000000       1.519720000000       0.894710000000     R=1.72
17 C      -2.238160000000       1.319616000000      -2.225385000000     R=2.00
18 C      -2.133848000000      -0.063662000000      -2.451131000000     R=2.00
19 C      -2.466650000000      -0.581482000000      -3.703124000000     R=2.00
20 C      -2.897913000000       0.249597000000      -4.742853000000     R=2.00
21 C      -2.979359000000       1.626620000000      -4.492954000000     R=2.00
22 C      -2.661336000000       2.186425000000      -3.253308000000     R=2.00
23 C      -1.652364000000      -0.945604000000      -1.339076000000     R=2.00
24 H      -2.399599000000      -1.660396000000      -3.864915000000     R=1.30
25 H      -3.317967000000       2.292299000000      -5.291561000000     R=1.30
26 C      -4.715846000000       1.285922000000      -0.159296000000     R=2.00
27 C      -5.556177000000       2.302261000000      -0.648228000000     R=2.00
28 C      -6.339025000000       2.021073000000      -1.771860000000     R=2.00
29 C      -6.314783000000       0.774758000000      -2.411971000000     R=2.00
30 C      -5.493385000000      -0.223191000000      -1.878258000000     R=2.00
31 C      -4.688724000000       0.012833000000      -0.762584000000     R=2.00
32 H      -6.977162000000       2.813103000000      -2.172921000000     R=1.30
33 H      -5.452201000000      -1.202803000000      -2.359863000000     R=1.30
34 C      -3.840491000000      -1.074307000000      -0.158014000000     R=2.00
35 H      -3.956144000000      -2.006726000000      -0.734807000000     R=1.30
36 C      -1.747313000000      -1.806692000000       0.894501000000     R=2.00
37 H      -1.836057000000      -2.797414000000       0.418753000000     R=1.30
38 H      -0.680199000000      -1.543761000000       0.947384000000     R=1.30
39 H      -5.870011000000       3.566003000000       1.074981000000     R=1.30
40 H      -4.557534000000       4.093346000000       0.026467000000     R=1.30
41 O       0.118374000000       1.028182000000       0.555629000000     R=1.72
42 H      -1.898499000000       1.041107000000       5.225423000000     R=1.30
43 H      -3.737380000000      -5.214741000000       4.032996000000     R=1.30
44 H      -4.403141000000      -0.498926000000      -6.100632000000     R=1.30
45 H      -3.066163000000       4.204174000000      -3.891047000000     R=1.30
46 H      -6.247765000000       4.337300000000      -0.488486000000     R=1.30
47 H      -7.974992000000       1.188712000000      -3.741821000000     R=1.30
48 C      -2.894940000000       0.580174000000       5.156241000000     R=2.00
49 H      -3.543392000000       1.317797000000       4.660078000000     R=1.30
50 H      -3.273227000000       0.405966000000       6.170963000000     R=1.30
51 C      -3.675129000000      -4.415337000000       4.782738000000     R=2.00
52 H      -2.975467000000      -4.744477000000       5.566614000000     R=1.30
53 H      -4.662431000000      -4.312314000000       5.256124000000     R=1.30
54 C      -2.798804000000       3.656037000000      -2.979248000000     R=2.00
55 H      -3.580816000000       3.833211000000      -2.225774000000     R=1.30
56 H      -1.867736000000       4.077729000000      -2.573324000000     R=1.30
57 C      -3.315648000000      -0.321644000000      -6.073392000000     R=2.00
58 H      -3.078548000000       0.363573000000      -6.898833000000     R=1.30
59 H      -2.823030000000      -1.283140000000      -6.271022000000     R=1.30
60 C      -7.094887000000       0.534824000000      -3.678380000000     R=2.00
61 H      -6.467503000000       0.739169000000      -4.561317000000     R=1.30
62 H      -7.432331000000      -0.507984000000      -3.753595000000     R=1.30
63 C      -5.563920000000       3.647519000000       0.021283000000     R=2.00
64 H       1.686509000000       0.179270000000       1.204512000000     R=1.30
65 O       0.813514000000       0.287595000000       1.630172000000     R=1.72
66 H      -0.135021000000       2.221081000000       1.025374000000     R=1.30
67 O      -0.945053000000       2.981963000000       1.384332000000     R=1.72
68 H      -0.982790000000       3.725385000000       0.755188000000     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

