ATOMS
1 O      -1.444492000000       1.499058000000       2.096610000000     R=1.72
2 C      -1.311884000000       0.382317000000       2.824779000000     R=2.00
3 C      -1.633304000000       0.396317000000       4.204693000000     R=2.00
4 C      -1.443851000000      -0.769791000000       4.949876000000     R=2.00
5 C      -0.957756000000      -1.958612000000       4.386827000000     R=2.00
6 C      -0.694972000000      -1.961410000000       3.014360000000     R=2.00
7 C      -0.871281000000      -0.817447000000       2.229060000000     R=2.00
8 H      -1.099148000000      -1.635257000000      -1.664730000000     R=1.30
9 H      -1.699894000000      -0.752423000000       6.013362000000     R=1.30
10 H      -0.356861000000      -2.882313000000       2.531168000000     R=1.30
11 H      -2.939342000000      -1.467801000000       1.349078000000     R=1.30
12 Ti      -2.386211000000       1.936335000000       0.469938000000     R=1.992
13 H      -0.509110000000       0.036955000000      -1.620225000000     R=1.30
14 O      -2.822382000000       1.867139000000      -1.379272000000     R=1.72
15 N      -1.811695000000      -0.435796000000      -0.063813000000     R=1.83
16 O      -3.943698000000       1.071211000000       1.163913000000     R=1.72
17 C      -3.113948000000       1.026200000000      -2.381846000000     R=2.00
18 C      -2.457831000000      -0.212471000000      -2.494037000000     R=2.00
19 C      -2.806722000000      -1.081047000000      -3.530463000000     R=2.00
20 C      -3.798542000000      -0.754526000000      -4.460612000000     R=2.00
21 C      -4.438871000000       0.485118000000      -4.325676000000     R=2.00
22 C      -4.122607000000       1.382580000000      -3.304338000000     R=2.00
23 C      -1.404711000000      -0.586472000000      -1.491890000000     R=2.00
24 H      -2.304324000000      -2.050144000000      -3.595778000000     R=1.30
25 H      -5.229384000000       0.755239000000      -5.031503000000     R=1.30
26 C      -4.771085000000       0.345127000000       0.382682000000     R=2.00
27 C      -6.081738000000       0.791062000000       0.105142000000     R=2.00
28 C      -6.877283000000       0.019524000000      -0.747153000000     R=2.00
29 C      -6.428037000000      -1.177872000000      -1.321891000000     R=2.00
30 C      -5.143200000000      -1.618242000000      -0.992512000000     R=2.00
31 C      -4.311769000000      -0.874322000000      -0.154233000000     R=2.00
32 H      -7.883469000000       0.377375000000      -0.984582000000     R=1.30
33 H      -4.762376000000      -2.546911000000      -1.425067000000     R=1.30
34 C      -2.950340000000      -1.355476000000       0.255706000000     R=2.00
35 H      -2.745598000000      -2.347955000000      -0.185072000000     R=1.30
36 C      -0.623297000000      -0.849327000000       0.751422000000     R=2.00
37 H      -0.318966000000      -1.869720000000       0.453905000000     R=1.30
38 H       0.189029000000      -0.164538000000       0.471761000000     R=1.30
39 H      -6.647669000000       1.986593000000       1.811117000000     R=1.30
40 H      -5.882102000000       2.896926000000       0.517921000000     R=1.30
41 O      -0.204304000000       1.999798000000      -0.386119000000     R=1.72
42 H      -1.378419000000       2.321550000000       5.159741000000     R=1.30
43 H      -0.597279000000      -4.080076000000       4.612208000000     R=1.30
44 H      -5.055404000000      -2.356295000000      -5.187091000000     R=1.30
45 H      -5.583055000000       2.839899000000      -3.932519000000     R=1.30
46 H      -7.572642000000       2.333191000000       0.326413000000     R=1.30
47 H      -8.345819000000      -1.773890000000      -2.139852000000     R=1.30
48 C      -2.184842000000       1.642045000000       4.840507000000     R=2.00
49 H      -2.815850000000       2.194462000000       4.132167000000     R=1.30
50 H      -2.773813000000       1.396800000000       5.733847000000     R=1.30
51 C      -0.737990000000      -3.186110000000       5.234221000000     R=2.00
52 H       0.156247000000      -3.079045000000       5.868474000000     R=1.30
53 H      -1.588931000000      -3.367681000000       5.906701000000     R=1.30
54 C      -4.855803000000       2.681041000000      -3.126494000000     R=2.00
55 H      -5.394789000000       2.684626000000      -2.166506000000     R=1.30
56 H      -4.163020000000       3.536352000000      -3.107595000000     R=1.30
57 C      -4.215790000000      -1.730312000000      -5.531080000000     R=2.00
58 H      -4.549535000000      -1.212767000000      -6.441054000000     R=1.30
59 H      -3.394221000000      -2.407370000000      -5.801881000000     R=1.30
60 C      -7.272804000000      -1.928586000000      -2.318659000000     R=2.00
61 H      -7.056771000000      -1.586131000000      -3.344168000000     R=1.30
62 H      -7.070186000000      -3.008226000000      -2.287924000000     R=1.30
63 C      -6.580191000000       2.071009000000       0.715150000000     R=2.00
64 O      -1.939732000000       3.832072000000       0.786676000000     R=1.72
65 H      -3.583854000000       3.863051000000      -0.569367000000     R=1.30
66 O      -3.627670000000       3.654145000000       0.386675000000     R=1.72
67 C       0.030039000000       2.838500000000      -1.540324000000     R=2.00
68 H      -0.464790000000       3.811477000000      -1.414925000000     R=1.30
69 H      -0.408104000000       2.325131000000      -2.400917000000     R=1.30
70 H       1.109395000000       2.969133000000      -1.692886000000     R=1.30
71 H       0.218601000000       2.432031000000       0.384381000000     R=1.30
72 S       0.068697000000       4.401076000000       1.643290000000     R=2.16
73 C      -0.731450000000       4.741755000000       3.218806000000     R=2.00
74 C      -0.020019000000       6.018942000000       0.849270000000     R=2.00
75 H       0.467766000000       5.929132000000      -0.127849000000     R=1.30
76 H       0.506515000000       6.764437000000       1.457088000000     R=1.30
77 H      -1.075874000000       6.285380000000       0.719093000000     R=1.30
78 H      -0.132516000000       5.451458000000       3.801433000000     R=1.30
79 H      -0.802154000000       3.780553000000       3.735362000000     R=1.30
80 H      -1.739223000000       5.124487000000       3.019983000000     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

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

