ATOMS
1 O      -5.492122000000       1.485581000000       1.905377000000     R=1.72
2 C      -6.195146000000       0.329422000000       1.984366000000     R=2.00
3 C      -7.599935000000       0.356850000000       1.868862000000     R=2.00
4 C      -8.288056000000      -0.854012000000       1.975296000000     R=2.00
5 C      -7.634534000000      -2.077909000000       2.188676000000     R=2.00
6 C      -6.240185000000      -2.068187000000       2.292049000000     R=2.00
7 C      -5.511171000000      -0.879304000000       2.193534000000     R=2.00
8 H      -1.412153000000      -1.220323000000       1.258436000000     R=1.30
9 H      -9.377510000000      -0.842068000000       1.883820000000     R=1.30
10 H      -5.702109000000      -3.006084000000       2.450793000000     R=1.30
11 H      -4.713484000000      -1.168200000000      -0.137265000000     R=1.30
12 Ti      -4.141953000000       2.022403000000       0.734537000000     R=1.992
13 H      -1.765122000000       0.004281000000       2.497846000000     R=1.30
14 O      -2.551717000000       2.457017000000       1.647958000000     R=1.72
15 N      -3.324850000000      -0.266450000000       1.133681000000     R=1.83
16 O      -4.163054000000       1.430069000000      -1.021744000000     R=1.72
17 C      -1.502705000000       2.168448000000       0.811067000000     R=2.00
18 C      -1.110642000000       0.825503000000       0.649619000000     R=2.00
19 C      -0.038196000000       0.523339000000      -0.190304000000     R=2.00
20 C       0.635106000000       1.522970000000      -0.896523000000     R=2.00
21 C       0.220298000000       2.851654000000      -0.721347000000     R=2.00
22 C      -0.837990000000       3.203747000000       0.119334000000     R=2.00
23 C      -1.856089000000      -0.224561000000       1.425986000000     R=2.00
24 H       0.251356000000      -0.521194000000      -0.322477000000     R=1.30
25 H       0.733604000000       3.645063000000      -1.270924000000     R=1.30
26 C      -3.314136000000       0.664673000000      -1.753345000000     R=2.00
27 C      -2.731080000000       1.199821000000      -2.917428000000     R=2.00
28 C      -1.856509000000       0.386703000000      -3.642117000000     R=2.00
29 C      -1.541275000000      -0.920958000000      -3.246939000000     R=2.00
30 C      -2.131730000000      -1.415250000000      -2.079886000000     R=2.00
31 C      -3.006953000000      -0.635393000000      -1.321180000000     R=2.00
32 H      -1.392281000000       0.796161000000      -4.543239000000     R=1.30
33 H      -1.889172000000      -2.423531000000      -1.734960000000     R=1.30
34 C      -3.617009000000      -1.135176000000      -0.045953000000     R=2.00
35 H      -3.269310000000      -2.163847000000       0.160027000000     R=1.30
36 C      -4.016935000000      -0.837188000000       2.330965000000     R=2.00
37 H      -3.628534000000      -1.850734000000       2.537028000000     R=1.30
38 H      -3.741483000000      -0.191569000000       3.178646000000     R=1.30
39 H      -4.109971000000       2.782271000000      -3.430435000000     R=1.30
40 H      -2.686116000000       3.316197000000      -2.539646000000     R=1.30
41 O      -4.771789000000       3.719721000000       0.458718000000     R=1.72
42 H      -8.109309000000       2.368475000000       2.457492000000     R=1.30
43 H      -7.756098000000      -4.225397000000       2.418518000000     R=1.30
44 H       1.307426000000       1.045016000000      -2.885135000000     R=1.30
45 H      -0.667248000000       5.306307000000      -0.314247000000     R=1.30
46 H      -2.530282000000       2.872884000000      -4.259571000000     R=1.30
47 H      -0.601965000000      -1.533495000000      -5.099943000000     R=1.30
48 C      -8.301278000000       1.664498000000       1.633943000000     R=2.00
49 H      -7.931715000000       2.152462000000       0.719638000000     R=1.30
50 H      -9.384594000000       1.520181000000       1.542177000000     R=1.30
51 C      -8.420037000000      -3.359962000000       2.296959000000     R=2.00
52 H      -9.105144000000      -3.336146000000       3.157835000000     R=1.30
53 H      -9.036213000000      -3.527499000000       1.401072000000     R=1.30
54 C      -1.279699000000       4.629453000000       0.293692000000     R=2.00
55 H      -2.334336000000       4.752905000000       0.006127000000     R=1.30
56 H      -1.206734000000       4.940103000000       1.346539000000     R=1.30
57 C       1.726574000000       1.177298000000      -1.874591000000     R=2.00
58 H       2.483434000000       1.970920000000      -1.934745000000     R=1.30
59 H       2.227565000000       0.238587000000      -1.603089000000     R=1.30
60 C      -0.545481000000      -1.743318000000      -4.023182000000     R=2.00
61 H       0.484089000000      -1.517440000000      -3.701405000000     R=1.30
62 H      -0.707083000000      -2.818838000000      -3.871908000000     R=1.30
63 C      -3.029052000000       2.616394000000      -3.317021000000     R=2.00
64 H      -5.431922000000       5.631248000000       0.871201000000     R=1.30
65 C      -5.090737000000       4.725905000000       1.396839000000     R=2.00
66 H      -4.208883000000       4.984362000000       2.008834000000     R=1.30
67 H      -5.894629000000       4.383192000000       2.071325000000     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

