ATOMS
1 O      -1.887748000000       0.412246000000       2.505712000000     R=1.72
2 C      -2.338334000000      -0.730396000000       3.040048000000     R=2.00
3 C      -2.805947000000      -0.735849000000       4.374609000000     R=2.00
4 C      -3.278451000000      -1.936941000000       4.904424000000     R=2.00
5 C      -3.309918000000      -3.129760000000       4.163309000000     R=2.00
6 C      -2.848170000000      -3.090882000000       2.845248000000     R=2.00
7 C      -2.357615000000      -1.910408000000       2.275297000000     R=2.00
8 H      -1.897304000000      -2.080692000000      -1.684344000000     R=1.30
9 H      -3.644159000000      -1.942215000000       5.935058000000     R=1.30
10 H      -2.866557000000      -4.000833000000       2.239641000000     R=1.30
11 H      -4.231359000000      -1.279503000000       0.906866000000     R=1.30
12 Ti      -2.044638000000       1.354379000000       0.887047000000     R=1.992
13 H      -0.665224000000      -0.918668000000      -1.150481000000     R=1.30
14 O      -1.800981000000       1.753451000000      -0.978447000000     R=1.72
15 N      -2.418891000000      -0.855695000000      -0.026023000000     R=1.83
16 O      -3.915714000000       1.495325000000       0.897504000000     R=1.72
17 C      -2.161492000000       1.284547000000      -2.188392000000     R=2.00
18 C      -2.173532000000      -0.099969000000      -2.432856000000     R=2.00
19 C      -2.566599000000      -0.576740000000      -3.684561000000     R=2.00
20 C      -2.961684000000       0.291450000000      -4.706347000000     R=2.00
21 C      -2.944458000000       1.666517000000      -4.437018000000     R=2.00
22 C      -2.554794000000       2.186473000000      -3.200497000000     R=2.00
23 C      -1.742428000000      -1.039576000000      -1.347686000000     R=2.00
24 H      -2.584327000000      -1.656451000000      -3.855595000000     R=1.30
25 H      -3.261112000000       2.364687000000      -5.216734000000     R=1.30
26 C      -4.710113000000       1.248532000000      -0.170321000000     R=2.00
27 C      -5.509200000000       2.283439000000      -0.696773000000     R=2.00
28 C      -6.284769000000       2.008786000000      -1.824879000000     R=2.00
29 C      -6.294938000000       0.748337000000      -2.439505000000     R=2.00
30 C      -5.512100000000      -0.262931000000      -1.876786000000     R=2.00
31 C      -4.713566000000      -0.031763000000      -0.754160000000     R=2.00
32 H      -6.888793000000       2.814291000000      -2.251570000000     R=1.30
33 H      -5.492734000000      -1.251150000000      -2.342502000000     R=1.30
34 C      -3.891153000000      -1.124616000000      -0.127955000000     R=2.00
35 H      -4.044585000000      -2.072642000000      -0.673838000000     R=1.30
36 C      -1.805346000000      -1.883175000000       0.882039000000     R=2.00
37 H      -1.920776000000      -2.881682000000       0.423273000000     R=1.30
38 H      -0.728942000000      -1.654337000000       0.906603000000     R=1.30
39 H      -5.867298000000       3.599220000000       0.978904000000     R=1.30
40 H      -4.449585000000       4.017142000000       0.027298000000     R=1.30
41 O       0.167687000000       0.771220000000       0.416649000000     R=1.72
42 H      -1.772922000000       0.949831000000       5.238285000000     R=1.30
43 H      -3.835220000000      -5.225234000000       4.048488000000     R=1.30
44 H      -4.541665000000      -0.376491000000      -6.022180000000     R=1.30
45 H      -2.920379000000       4.224123000000      -3.795546000000     R=1.30
46 H      -6.079044000000       4.361747000000      -0.619851000000     R=1.30
47 H      -8.017617000000       1.068609000000      -3.717256000000     R=1.30
48 C      -2.792013000000       0.542234000000       5.163581000000     R=2.00
49 H      -3.395271000000       1.315829000000       4.665292000000     R=1.30
50 H      -3.184475000000       0.386100000000       6.176041000000     R=1.30
51 C      -3.829791000000      -4.404650000000       4.777669000000     R=2.00
52 H      -3.211367000000      -4.718162000000       5.632559000000     R=1.30
53 H      -4.856157000000      -4.278719000000       5.153629000000     R=1.30
54 C      -2.580270000000       3.660627000000      -2.917972000000     R=2.00
55 H      -3.254676000000       3.881371000000      -2.077787000000     R=1.30
56 H      -1.586345000000       4.032408000000      -2.626799000000     R=1.30
57 C      -3.448706000000      -0.234590000000      -6.032082000000     R=2.00
58 H      -3.219922000000       0.461409000000      -6.850661000000     R=1.30
59 H      -2.997242000000      -1.207257000000      -6.269835000000     R=1.30
60 C      -7.068875000000       0.514214000000      -3.710866000000     R=2.00
61 H      -6.488487000000       0.852385000000      -4.584674000000     R=1.30
62 H      -7.290134000000      -0.551399000000      -3.857327000000     R=1.30
63 C      -5.480359000000       3.639919000000      -0.050625000000     R=2.00
64 H      -0.022837000000       4.442365000000       1.160658000000     R=1.30
65 O       1.184547000000       1.054718000000       1.438932000000     R=1.72
66 H      -1.715605000000       5.016347000000       1.114177000000     R=1.30
67 H      -1.052859000000       4.089881000000      -0.267864000000     R=1.30
68 O      -1.468843000000       2.993017000000       1.441204000000     R=1.72
69 C      -1.043940000000       4.189196000000       0.830973000000     R=2.00
70 H       1.693175000000       0.218368000000       1.406123000000     R=1.30
71 H       0.393506000000       1.414330000000      -0.290214000000     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

RESTART Tiint1.t21

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

