ATOMS
1 O      -1.913526000000       0.425258000000       2.484717000000     R=1.72
2 C      -2.340886000000      -0.720415000000       3.032921000000     R=2.00
3 C      -2.791776000000      -0.722389000000       4.372747000000     R=2.00
4 C      -3.245143000000      -1.925574000000       4.914346000000     R=2.00
5 C      -3.273220000000      -3.122059000000       4.179178000000     R=2.00
6 C      -2.827034000000      -3.085562000000       2.855525000000     R=2.00
7 C      -2.354687000000      -1.903791000000       2.272930000000     R=2.00
8 H      -1.927802000000      -2.085398000000      -1.699514000000     R=1.30
9 H      -3.598200000000      -1.929144000000       5.949346000000     R=1.30
10 H      -2.842819000000      -3.998746000000       2.254758000000     R=1.30
11 H      -4.239044000000      -1.272523000000       0.909307000000     R=1.30
12 Ti      -2.043189000000       1.369388000000       0.877524000000     R=1.992
13 H      -0.681574000000      -0.937658000000      -1.165910000000     R=1.30
14 O      -1.801585000000       1.746916000000      -0.976712000000     R=1.72
15 N      -2.429598000000      -0.860838000000      -0.034319000000     R=1.83
16 O      -3.909148000000       1.504630000000       0.867473000000     R=1.72
17 C      -2.157693000000       1.285724000000      -2.190760000000     R=2.00
18 C      -2.182163000000      -0.097346000000      -2.440138000000     R=2.00
19 C      -2.574661000000      -0.560642000000      -3.697210000000     R=2.00
20 C      -2.953273000000       0.319065000000      -4.716023000000     R=2.00
21 C      -2.920517000000       1.692907000000      -4.440266000000     R=2.00
22 C      -2.532510000000       2.199673000000      -3.197908000000     R=2.00
23 C      -1.760589000000      -1.047286000000      -1.359032000000     R=2.00
24 H      -2.603870000000      -1.638892000000      -3.875626000000     R=1.30
25 H      -3.221493000000       2.399288000000      -5.218861000000     R=1.30
26 C      -4.714918000000       1.248912000000      -0.190373000000     R=2.00
27 C      -5.522011000000       2.277228000000      -0.715965000000     R=2.00
28 C      -6.306296000000       1.991447000000      -1.835876000000     R=2.00
29 C      -6.318704000000       0.726325000000      -2.440104000000     R=2.00
30 C      -5.531052000000      -0.279700000000      -1.873647000000     R=2.00
31 C      -4.723803000000      -0.037853000000      -0.759970000000     R=2.00
32 H      -6.917366000000       2.791633000000      -2.262628000000     R=1.30
33 H      -5.516125000000      -1.273126000000      -2.328370000000     R=1.30
34 C      -3.901336000000      -1.127162000000      -0.127866000000     R=2.00
35 H      -4.060757000000      -2.079043000000      -0.665548000000     R=1.30
36 C      -1.814338000000      -1.885107000000       0.873709000000     R=2.00
37 H      -1.936768000000      -2.886401000000       0.422522000000     R=1.30
38 H      -0.736592000000      -1.662335000000       0.889035000000     R=1.30
39 H      -5.892935000000       3.599407000000       0.950964000000     R=1.30
40 H      -4.471077000000       4.019302000000       0.004452000000     R=1.30
41 O       0.149150000000       0.737987000000       0.438942000000     R=1.72
42 H      -1.766217000000       0.979083000000       5.214458000000     R=1.30
43 H      -3.785534000000      -5.221339000000       4.078864000000     R=1.30
44 H      -4.532409000000      -0.324397000000      -6.044190000000     R=1.30
45 H      -2.793457000000       4.255543000000      -3.790222000000     R=1.30
46 H      -6.098743000000       4.353679000000      -0.651551000000     R=1.30
47 H      -8.027485000000       1.069550000000      -3.729868000000     R=1.30
48 C      -2.781483000000       0.559531000000       5.155546000000     R=2.00
49 H      -3.401126000000       1.323898000000       4.663139000000     R=1.30
50 H      -3.157768000000       0.402933000000       6.173998000000     R=1.30
51 C      -3.772675000000      -4.398941000000       4.805926000000     R=2.00
52 H      -3.136289000000      -4.705225000000       5.650253000000     R=1.30
53 H      -4.792655000000      -4.278288000000       5.200528000000     R=1.30
54 C      -2.543377000000       3.670613000000      -2.896404000000     R=2.00
55 H      -3.284383000000       3.896847000000      -2.114918000000     R=1.30
56 H      -1.570019000000       4.009758000000      -2.512383000000     R=1.30
57 C      -3.438023000000      -0.193941000000      -6.047803000000     R=2.00
58 H      -3.197108000000       0.504549000000      -6.860856000000     R=1.30
59 H      -2.994743000000      -1.169616000000      -6.288971000000     R=1.30
60 C      -7.101499000000       0.478750000000      -3.703534000000     R=2.00
61 H      -6.507495000000       0.761778000000      -4.587814000000     R=1.30
62 H      -7.364878000000      -0.581914000000      -3.813124000000     R=1.30
63 C      -5.499495000000       3.636966000000      -0.076300000000     R=2.00
64 H       1.609248000000       0.062389000000       1.449806000000     R=1.30
65 O       1.140525000000       0.920676000000       1.508336000000     R=1.72
66 H       0.444805000000       1.390872000000      -0.231988000000     R=1.30
67 O      -1.450649000000       3.024720000000       1.475510000000     R=1.72
68 H      -1.352595000000       3.732133000000       0.813385000000     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

