ATOMS
1 O      -2.076843000000       0.391491000000       2.667766000000     R=1.72
2 C      -2.482773000000      -0.767460000000       3.205587000000     R=2.00
3 C      -2.964877000000      -0.792926000000       4.533278000000     R=2.00
4 C      -3.393147000000      -2.016598000000       5.050023000000     R=2.00
5 C      -3.363860000000      -3.207019000000       4.304329000000     R=2.00
6 C      -2.885775000000      -3.146260000000       2.992434000000     R=2.00
7 C      -2.439668000000      -1.941934000000       2.438671000000     R=2.00
8 H      -2.027781000000      -2.061739000000      -1.519705000000     R=1.30
9 H      -3.770244000000      -2.042853000000       6.076132000000     R=1.30
10 H      -2.852935000000      -4.053755000000       2.384043000000     R=1.30
11 H      -4.311628000000      -1.212905000000       1.079317000000     R=1.30
12 Ti      -2.217775000000       1.348862000000       1.055312000000     R=1.992
13 H      -0.720356000000      -1.020413000000      -0.942200000000     R=1.30
14 O      -1.693090000000       1.726487000000      -0.725449000000     R=1.72
15 N      -2.476806000000      -0.837508000000       0.155705000000     R=1.83
16 O      -4.072424000000       1.519957000000       0.998487000000     R=1.72
17 C      -1.991113000000       1.316323000000      -1.977005000000     R=2.00
18 C      -2.099707000000      -0.054630000000      -2.250066000000     R=2.00
19 C      -2.433516000000      -0.471530000000      -3.539760000000     R=2.00
20 C      -2.668194000000       0.449345000000      -4.565252000000     R=2.00
21 C      -2.551871000000       1.813338000000      -4.262834000000     R=2.00
22 C      -2.221205000000       2.272244000000      -2.985696000000     R=2.00
23 C      -1.796269000000      -1.042670000000      -1.165003000000     R=2.00
24 H      -2.527194000000      -1.541662000000      -3.741251000000     R=1.30
25 H      -2.738820000000       2.550451000000      -5.048312000000     R=1.30
26 C      -4.783882000000       1.240990000000      -0.128468000000     R=2.00
27 C      -5.544974000000       2.254797000000      -0.742642000000     R=2.00
28 C      -6.240240000000       1.934331000000      -1.910830000000     R=2.00
29 C      -6.206039000000       0.653233000000      -2.480489000000     R=2.00
30 C      -5.458558000000      -0.333770000000      -1.833399000000     R=2.00
31 C      -4.739586000000      -0.057708000000      -0.668224000000     R=2.00
32 H      -6.821422000000       2.719438000000      -2.401910000000     R=1.30
33 H      -5.408302000000      -1.338929000000      -2.258427000000     R=1.30
34 C      -3.948531000000      -1.116669000000       0.045583000000     R=2.00
35 H      -4.085190000000      -2.092766000000      -0.450564000000     R=1.30
36 C      -1.853637000000      -1.866962000000       1.064839000000     R=2.00
37 H      -1.920759000000      -2.854100000000       0.577037000000     R=1.30
38 H      -0.786796000000      -1.599179000000       1.129353000000     R=1.30
39 H      -6.046916000000       3.615786000000       0.855735000000     R=1.30
40 H      -4.567879000000       4.030775000000       0.000675000000     R=1.30
41 S       1.144808000000       0.777219000000       0.625604000000     R=2.16
42 H      -2.011689000000       0.936925000000       5.398046000000     R=1.30
43 H      -3.843181000000      -5.311935000000       4.166672000000     R=1.30
44 H      -4.185892000000      -0.045785000000      -6.021410000000     R=1.30
45 H      -2.280764000000       4.351543000000      -3.553440000000     R=1.30
46 H      -6.148359000000       4.322713000000      -0.778224000000     R=1.30
47 H      -7.823397000000       0.957559000000      -3.890356000000     R=1.30
48 C      -3.009774000000       0.479782000000       5.329116000000     R=2.00
49 H      -3.656424000000       1.224931000000       4.841725000000     R=1.30
50 H      -3.386017000000       0.297987000000       6.343321000000     R=1.30
51 C      -3.828973000000      -4.505855000000       4.911698000000     R=2.00
52 H      -3.167979000000      -4.819780000000       5.734208000000     R=1.30
53 H      -4.841247000000      -4.411238000000       5.331624000000     R=1.30
54 C      -2.146141000000       3.735766000000      -2.655910000000     R=2.00
55 H      -2.929957000000       4.011553000000      -1.933087000000     R=1.30
56 H      -1.178972000000       3.998513000000      -2.200145000000     R=1.30
57 C      -3.087645000000      -0.006666000000      -5.938950000000     R=2.00
58 H      -2.727849000000       0.678639000000      -6.718383000000     R=1.30
59 H      -2.708298000000      -1.012971000000      -6.161761000000     R=1.30
60 C      -6.902394000000       0.368064000000      -3.785579000000     R=2.00
61 H      -6.250738000000       0.625936000000      -4.636117000000     R=1.30
62 H      -7.158829000000      -0.695487000000      -3.881085000000     R=1.30
63 C      -5.582302000000       3.631619000000      -0.141771000000     R=2.00
64 O      -1.166760000000       2.735794000000       1.847115000000     R=1.72
65 C       1.580212000000       2.525512000000       0.393752000000     R=2.00
66 O      -2.083296000000       3.652499000000       1.159404000000     R=1.72
67 H      -1.623520000000       3.801743000000       0.301207000000     R=1.30
68 C       1.617959000000       0.235817000000      -1.049261000000     R=2.00
69 H       2.652574000000       0.543313000000      -1.243494000000     R=1.30
70 H       0.926328000000       0.685174000000      -1.773498000000     R=1.30
71 H       1.536350000000      -0.856846000000      -1.069243000000     R=1.30
72 H       2.641479000000       2.590139000000       0.124684000000     R=1.30
73 H       1.371017000000       3.033558000000       1.340064000000     R=1.30
74 H       0.940387000000       2.931900000000      -0.399289000000     R=1.30
75 O       2.147097000000       0.177676000000       1.586071000000     R=1.72
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

