ATOMS
1 O      -1.972880000000       0.458514000000       2.488816000000     R=1.72
2 C      -2.370281000000      -0.693718000000       3.041893000000     R=2.00
3 C      -2.851490000000      -0.713789000000       4.369337000000     R=2.00
4 C      -3.278421000000      -1.935113000000       4.892177000000     R=2.00
5 C      -3.250519000000      -3.127587000000       4.150033000000     R=2.00
6 C      -2.774321000000      -3.071702000000       2.836909000000     R=2.00
7 C      -2.325635000000      -1.871830000000       2.274960000000     R=2.00
8 H      -1.722928000000      -2.006224000000      -1.641189000000     R=1.30
9 H      -3.656564000000      -1.957116000000       5.917972000000     R=1.30
10 H      -2.745457000000      -3.981791000000       2.232308000000     R=1.30
11 H      -4.180145000000      -1.275338000000       0.869499000000     R=1.30
12 Ti      -2.027255000000       1.296121000000       0.823972000000     R=1.992
13 H      -0.586068000000      -0.736114000000      -1.116323000000     R=1.30
14 O      -1.971498000000       1.794192000000      -0.994941000000     R=1.72
15 N      -2.359443000000      -0.788677000000      -0.022098000000     R=1.83
16 O      -3.885461000000       1.520644000000       0.913906000000     R=1.72
17 C      -2.236484000000       1.312988000000      -2.219549000000     R=2.00
18 C      -2.128967000000      -0.070085000000      -2.446092000000     R=2.00
19 C      -2.463804000000      -0.590493000000      -3.696492000000     R=2.00
20 C      -2.901621000000       0.237804000000      -4.735488000000     R=2.00
21 C      -2.986339000000       1.614628000000      -4.486040000000     R=2.00
22 C      -2.665401000000       2.177088000000      -3.248314000000     R=2.00
23 C      -1.643382000000      -0.949861000000      -1.334506000000     R=2.00
24 H      -2.393889000000      -1.669433000000      -3.857108000000     R=1.30
25 H      -3.331694000000       2.278494000000      -5.283320000000     R=1.30
26 C      -4.704594000000       1.290779000000      -0.142015000000     R=2.00
27 C      -5.541268000000       2.311528000000      -0.628382000000     R=2.00
28 C      -6.323610000000       2.038014000000      -1.754042000000     R=2.00
29 C      -6.301980000000       0.794368000000      -2.399382000000     R=2.00
30 C      -5.483647000000      -0.207868000000      -1.869197000000     R=2.00
31 C      -4.678962000000       0.020298000000      -0.751724000000     R=2.00
32 H      -6.958449000000       2.833821000000      -2.152900000000     R=1.30
33 H      -5.443705000000      -1.184890000000      -2.356156000000     R=1.30
34 C      -3.832882000000      -1.073792000000      -0.154735000000     R=2.00
35 H      -3.953715000000      -2.002048000000      -0.737347000000     R=1.30
36 C      -1.740598000000      -1.814686000000       0.896650000000     R=2.00
37 H      -1.825207000000      -2.804673000000       0.418410000000     R=1.30
38 H      -0.674045000000      -1.549338000000       0.954417000000     R=1.30
39 H      -5.832689000000       3.570116000000       1.103250000000     R=1.30
40 H      -4.537556000000       4.103361000000       0.036654000000     R=1.30
41 O       0.133268000000       1.064282000000       0.562964000000     R=1.72
42 H      -1.897181000000       1.008157000000       5.250807000000     R=1.30
43 H      -3.773336000000      -5.222042000000       4.009389000000     R=1.30
44 H      -4.412110000000      -0.503797000000      -6.091350000000     R=1.30
45 H      -3.146224000000       4.180075000000      -3.876830000000     R=1.30
46 H      -6.234677000000       4.345153000000      -0.452981000000     R=1.30
47 H      -7.958601000000       1.218240000000      -3.730696000000     R=1.30
48 C      -2.899310000000       0.563731000000       5.157644000000     R=2.00
49 H      -3.523963000000       1.313835000000       4.649926000000     R=1.30
50 H      -3.302251000000       0.392048000000       6.163329000000     R=1.30
51 C      -3.714512000000      -4.424790000000       4.761747000000     R=2.00
52 H      -3.026133000000      -4.760534000000       5.552810000000     R=1.30
53 H      -4.706608000000      -4.316807000000       5.223986000000     R=1.30
54 C      -2.801193000000       3.648076000000      -2.981770000000     R=2.00
55 H      -3.520377000000       3.827177000000      -2.169331000000     R=1.30
56 H      -1.845763000000       4.088137000000      -2.659266000000     R=1.30
57 C      -3.323201000000      -0.335445000000      -6.063963000000     R=2.00
58 H      -3.079852000000       0.344415000000      -6.892103000000     R=1.30
59 H      -2.838042000000      -1.301580000000      -6.257315000000     R=1.30
60 C      -7.079551000000       0.562738000000      -3.668900000000     R=2.00
61 H      -6.449533000000       0.771310000000      -4.549012000000     R=1.30
62 H      -7.418243000000      -0.479141000000      -3.750999000000     R=1.30
63 C      -5.542981000000       3.654846000000       0.045302000000     R=2.00
64 H      -0.305797000000       4.919684000000       1.099529000000     R=1.30
65 O       0.845277000000       0.320301000000       1.623858000000     R=1.72
66 H      -2.062712000000       4.668317000000       0.861023000000     R=1.30
67 H      -0.913186000000       4.108721000000      -0.388366000000     R=1.30
68 O      -0.982544000000       2.977091000000       1.371245000000     R=1.72
69 C      -1.066006000000       4.239264000000       0.692694000000     R=2.00
70 H       1.708819000000       0.205710000000       1.180960000000     R=1.30
71 H      -0.136286000000       2.258391000000       1.024758000000     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

