ATOMS
1 O      -5.584232000000       1.466425000000       1.747153000000     R=1.72
2 C      -6.251335000000       0.312284000000       1.978377000000     R=2.00
3 C      -7.667171000000       0.252469000000       1.940868000000     R=2.00
4 C      -8.244360000000      -0.994489000000       2.222497000000     R=2.00
5 C      -7.484129000000      -2.128254000000       2.517444000000     R=2.00
6 C      -6.094179000000      -2.043655000000       2.536198000000     R=2.00
7 C      -5.471970000000      -0.824429000000       2.269988000000     R=2.00
8 H      -1.464215000000      -1.073519000000       1.026566000000     R=1.30
9 H      -9.328294000000      -1.092560000000       2.207723000000     R=1.30
10 H      -5.483975000000      -2.921338000000       2.758152000000     R=1.30
11 H      -4.831858000000      -1.022455000000      -0.137939000000     R=1.30
12 Ti      -4.210088000000       2.061185000000       0.638888000000     R=1.992
13 H      -1.743672000000       0.074332000000       2.346977000000     R=1.30
14 O      -2.613352000000       2.587379000000       1.484952000000     R=1.72
15 N      -3.374597000000      -0.128441000000       1.063052000000     R=1.83
16 O      -4.034658000000       1.514573000000      -1.107958000000     R=1.72
17 C      -1.439720000000       2.342772000000       0.824544000000     R=2.00
18 C      -1.123224000000       0.992733000000       0.553526000000     R=2.00
19 C      -0.006707000000       0.686057000000      -0.223601000000     R=2.00
20 C       0.814384000000       1.708273000000      -0.688283000000     R=2.00
21 C       0.547777000000       3.029393000000      -0.323443000000     R=2.00
22 C      -0.563423000000       3.394180000000       0.450659000000     R=2.00
23 C      -1.892046000000      -0.087035000000       1.269066000000     R=2.00
24 H       0.213426000000      -0.357343000000      -0.455738000000     R=1.30
25 H       1.236392000000       3.803105000000      -0.657738000000     R=1.30
26 C      -3.351714000000       0.644135000000      -1.889668000000     R=2.00
27 C      -2.878702000000       1.035461000000      -3.166682000000     R=2.00
28 C      -2.150643000000       0.074267000000      -3.881092000000     R=2.00
29 C      -1.902519000000      -1.206112000000      -3.382855000000     R=2.00
30 C      -2.397275000000      -1.569707000000      -2.134122000000     R=2.00
31 C      -3.129363000000      -0.650536000000      -1.382558000000     R=2.00
32 H      -1.757824000000       0.328713000000      -4.863594000000     R=1.30
33 H      -2.218305000000      -2.568775000000      -1.732137000000     R=1.30
34 C      -3.732800000000      -1.034792000000      -0.064597000000     R=2.00
35 H      -3.434085000000      -2.067577000000       0.189395000000     R=1.30
36 C      -3.981223000000      -0.664675000000       2.324215000000     R=2.00
37 H      -3.513621000000      -1.634822000000       2.567284000000     R=1.30
38 H      -3.710575000000       0.048220000000       3.118171000000     R=1.30
39 H      -5.114333000000       2.678309000000      -2.798485000000     R=1.30
40 H      -1.373840000000       3.295031000000      -2.760815000000     R=1.30
41 O      -5.004242000000       3.701223000000       0.291456000000     R=1.72
42 H      -7.168111000000       2.934254000000       2.526256000000     R=1.30
43 C      -3.139307000000       2.438215000000      -3.735059000000     R=2.00
44 H      -1.013488000000       5.908655000000       2.802749000000     R=1.30
45 H       0.520259000000       5.829896000000      -0.566575000000     R=1.30
46 H      -3.036542000000       1.872494000000      -5.858597000000     R=1.30
47 H      -1.968153000000       5.482131000000      -0.799136000000     R=1.30
48 C      -8.522143000000       1.478435000000       1.585567000000     R=2.00
49 H      -8.449734000000       1.089779000000      -0.566414000000     R=1.30
50 H     -10.320359000000       0.865223000000       2.692928000000     R=1.30
51 C      -5.401872970858       4.593679312892       1.294158019841     R=2.00
52 C       0.410009000000       5.746220000000       0.523821000000     R=2.00
53 H       0.232176000000       6.757116000000       0.916372000000     R=1.30
54 C      -0.773877000000       4.845218000000       0.916762000000     R=2.00
55 H      -2.947530000000       4.889156000000       0.557921000000     R=1.30
56 H       0.029795000000       4.470006000000       2.918448000000     R=1.30
57 H      -1.738875000000       4.281565000000       2.807605000000     R=1.30
58 H       1.359814000000       5.385318000000       0.943380000000     R=1.30
59 C      -0.884513000000       4.871963000000       2.458370000000     R=2.00
60 H       1.679209000000       1.480823000000      -1.312266000000     R=1.30
61 H      -7.981768000000      -3.075713000000       2.726197000000     R=1.30
62 C     -10.027382000000       1.175597000000       1.679996000000     R=2.00
63 H     -10.590393000000       2.086243000000       1.432966000000     R=1.30
64 H     -10.335962000000       0.393069000000       0.972790000000     R=1.30
65 C      -8.223948000000       1.908551000000       0.131291000000     R=2.00
66 H      -8.851766000000       2.770653000000      -0.138430000000     R=1.30
67 H      -7.176851000000       2.200245000000      -0.005795000000     R=1.30
68 C      -8.223879000000       2.643204000000       2.555442000000     R=2.00
69 H      -8.835851000000       3.516350000000       2.286014000000     R=1.30
70 H      -8.471712000000       2.358187000000       3.587934000000     R=1.30
71 C      -4.659220000000       2.712651000000      -3.794495000000     R=2.00
72 H      -4.836827000000       3.710935000000      -4.220889000000     R=1.30
73 H      -5.160298000000       1.973512000000      -4.436024000000     R=1.30
74 C      -2.582940000000       2.590645000000      -5.160742000000     R=2.00
75 H      -2.811876000000       3.601515000000      -5.525362000000     R=1.30
76 H      -1.491376000000       2.465682000000      -5.192819000000     R=1.30
77 C      -2.450565000000       3.495286000000      -2.847021000000     R=2.00
78 H      -2.585088000000       4.495033000000      -3.286018000000     R=1.30
79 H      -2.873809000000       3.510895000000      -1.839011000000     R=1.30
80 C      -2.047469000000       5.454435000000       0.295722000000     R=2.00
81 H      -2.172606000000       6.487459000000       0.653855000000     R=1.30
82 H      -1.324480000000      -1.916419000000      -3.974856000000     R=1.30
83 H      -3.575008349536       4.139350380854       2.329138304513     R=1.30
84 H      -7.005328621961       3.771628686419       2.463857150065     R=1.30
85 H      -5.346348296660       5.498196507149      -1.287301808973     R=1.30
86 C      -6.888877694385       4.492398916488       1.681661869516     R=2.00
87 H      -7.234725608629       5.446312532918       2.021276408330     R=1.30
88 H      -7.459757462276       4.188885385098       0.829091737943     R=1.30
89 C      -4.535495597322       4.546823978522       2.566476700151     R=2.00
90 H      -4.416958981121       5.537139542343       2.953935287675     R=1.30
91 H      -5.012555960630       3.931426682965       3.300370139796     R=1.30
92 C      -5.244526445974       6.039146229680       0.786745501686     R=2.00
93 C      -5.105691031522       7.090960436540       1.700906157114     R=2.00
94 C      -4.962602115117       8.405449656901       1.239471621392     R=2.00
95 C      -4.958348607878       8.668124534221      -0.136123530680     R=2.00
96 C      -5.097184021928       7.616310320076      -1.050284119423     R=2.00
97 C      -5.240272943829       6.301821144000      -0.588849610323     R=2.00
98 H      -5.108940858277       6.890267114053       2.751911214606     R=1.30
99 H      -4.856526780285       9.209074317089       1.937923791208     R=1.30
100 H      -5.093934187808       7.817003619344      -2.101289179496     R=1.30
101 H      -4.848001691487       9.681828576186      -0.491971353979     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

GEOMETRY
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

