ATOMS
1 O      -5.500631000000       1.494686000000       1.839788000000     R=1.72
2 C      -6.197282000000       0.335816000000       1.947400000000     R=2.00
3 C      -7.601743000000       0.355727000000       1.827515000000     R=2.00
4 C      -8.287301000000      -0.852777000000       1.970663000000     R=2.00
5 C      -7.631151000000      -2.067596000000       2.223490000000     R=2.00
6 C      -6.236883000000      -2.051298000000       2.326242000000     R=2.00
7 C      -5.509675000000      -0.864405000000       2.192528000000     R=2.00
8 H      -1.410324000000      -1.244219000000       1.200943000000     R=1.30
9 H      -9.376635000000      -0.845848000000       1.877370000000     R=1.30
10 H      -5.696438000000      -2.982504000000       2.513247000000     R=1.30
11 H      -4.724649000000      -1.187586000000      -0.132172000000     R=1.30
12 Ti      -4.103948000000       2.018684000000       0.736485000000     R=1.992
13 H      -1.743594000000      -0.050484000000       2.475114000000     R=1.30
14 O      -2.546268000000       2.413466000000       1.704721000000     R=1.72
15 N      -3.321064000000      -0.280930000000       1.120397000000     R=1.83
16 O      -4.203442000000       1.382679000000      -1.009849000000     R=1.72
17 C      -1.503212000000       2.155046000000       0.846727000000     R=2.00
18 C      -1.114911000000       0.816473000000       0.640094000000     R=2.00
19 C      -0.053656000000       0.538400000000      -0.221151000000     R=2.00
20 C       0.613062000000       1.559719000000      -0.902617000000     R=2.00
21 C       0.209855000000       2.884012000000      -0.673618000000     R=2.00
22 C      -0.834959000000       3.213339000000       0.192776000000     R=2.00
23 C      -1.849950000000      -0.252903000000       1.399476000000     R=2.00
24 H       0.232687000000      -0.501678000000      -0.388770000000     R=1.30
25 H       0.725215000000       3.693682000000      -1.196856000000     R=1.30
26 C      -3.342913000000       0.639125000000      -1.749703000000     R=2.00
27 C      -2.763082000000       1.189499000000      -2.908147000000     R=2.00
28 C      -1.879435000000       0.389898000000      -3.637111000000     R=2.00
29 C      -1.553700000000      -0.918430000000      -3.251402000000     R=2.00
30 C      -2.140922000000      -1.427859000000      -2.088679000000     R=2.00
31 C      -3.023687000000      -0.660542000000      -1.326543000000     R=2.00
32 H      -1.417161000000       0.810406000000      -4.534219000000     R=1.30
33 H      -1.889742000000      -2.436436000000      -1.750620000000     R=1.30
34 C      -3.627710000000      -1.159059000000      -0.048431000000     R=2.00
35 H      -3.280892000000      -2.186744000000       0.161777000000     R=1.30
36 C      -4.015464000000      -0.823124000000       2.329911000000     R=2.00
37 H      -3.631913000000      -1.833810000000       2.556470000000     R=1.30
38 H      -3.735931000000      -0.161542000000       3.164021000000     R=1.30
39 H      -4.155109000000       2.765167000000      -3.406662000000     R=1.30
40 H      -2.731203000000       3.303465000000      -2.513854000000     R=1.30
41 O      -4.616720000000       3.756608000000       0.319471000000     R=1.72
42 H      -8.112844000000       2.385937000000       2.347195000000     R=1.30
43 H      -7.747331000000      -4.213194000000       2.472988000000     R=1.30
44 H       1.258332000000       1.161542000000      -2.916369000000     R=1.30
45 H      -0.673925000000       5.325959000000      -0.187463000000     R=1.30
46 H      -2.578341000000       2.875172000000      -4.237485000000     R=1.30
47 H      -0.615559000000      -1.516288000000      -5.109838000000     R=1.30
48 C      -8.307221000000       1.652699000000       1.550381000000     R=2.00
49 H      -7.943925000000       2.108214000000       0.616932000000     R=1.30
50 H      -9.390556000000       1.502080000000       1.468914000000     R=1.30
51 C      -8.413991000000      -3.346287000000       2.379421000000     R=2.00
52 H      -9.052866000000      -3.314211000000       3.275221000000     R=1.30
53 H      -9.076788000000      -3.516373000000       1.518247000000     R=1.30
54 C      -1.243171000000       4.636350000000       0.447710000000     R=2.00
55 H      -2.317289000000       4.777645000000       0.261305000000     R=1.30
56 H      -1.070242000000       4.909753000000       1.499823000000     R=1.30
57 C       1.690115000000       1.243599000000      -1.905822000000     R=2.00
58 H       2.456591000000       2.029536000000      -1.939101000000     R=1.30
59 H       2.180379000000       0.287083000000      -1.681079000000     R=1.30
60 C      -0.549529000000      -1.725090000000      -4.033338000000     R=2.00
61 H       0.478124000000      -1.482206000000      -3.717776000000     R=1.30
62 H      -0.693173000000      -2.802963000000      -3.880789000000     R=1.30
63 C      -3.072437000000       2.607207000000      -3.295694000000     R=2.00
64 H      -5.039224000000       3.935364000000      -0.538272000000     R=1.30
END


SOLVATION
    Surf Delley
    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

