ATOMS
1 O      -2.059668000000      -1.008858000000       2.385251000000     R=1.72
2 C      -2.588114000000      -2.233875000000       2.290267000000     R=2.00
3 C      -3.076177000000      -2.871409000000       3.454430000000     R=2.00
4 C      -3.639631000000      -4.141610000000       3.330592000000     R=2.00
5 C      -3.743172000000      -4.802221000000       2.095976000000     R=2.00
6 C      -3.255979000000      -4.145803000000       0.962435000000     R=2.00
7 C      -2.670895000000      -2.875941000000       1.037084000000     R=2.00
8 H      -2.084431000000      -1.124798000000      -2.519328000000     R=1.30
9 H      -4.021907000000      -4.631525000000       4.230528000000     R=1.30
10 H      -3.329112000000      -4.632745000000      -0.013633000000     R=1.30
11 H      -4.452462000000      -1.539004000000       0.134789000000     R=1.30
12 Ti      -1.968565000000       0.543085000000       1.332035000000     R=1.992
13 H      -0.814882000000      -0.427437000000      -1.477222000000     R=1.30
14 O      -1.906517000000       1.921149000000      -0.047367000000     R=1.72
15 N      -2.589895000000      -0.837828000000      -0.475860000000     R=1.83
16 O      -3.862615000000       0.801516000000       1.506013000000     R=1.72
17 C      -2.215786000000       2.089384000000      -1.342000000000     R=2.00
18 C      -2.254316000000       0.981482000000      -2.213376000000     R=2.00
19 C      -2.622055000000       1.171260000000      -3.547269000000     R=2.00
20 C      -2.952627000000       2.433024000000      -4.050729000000     R=2.00
21 C      -2.896225000000       3.519255000000      -3.168099000000     R=2.00
22 C      -2.538256000000       3.377406000000      -1.825866000000     R=2.00
23 C      -1.887446000000      -0.389052000000      -1.718984000000     R=2.00
24 H      -2.668254000000       0.300218000000      -4.206812000000     R=1.30
25 H      -3.158438000000       4.516184000000      -3.533339000000     R=1.30
26 C      -4.673774000000       1.208178000000       0.514917000000     R=2.00
27 C      -5.370890000000       2.430688000000       0.617456000000     R=2.00
28 C      -6.157435000000       2.836784000000      -0.463744000000     R=2.00
29 C      -6.279218000000       2.074690000000      -1.634677000000     R=2.00
30 C      -5.601019000000       0.853549000000      -1.695620000000     R=2.00
31 C      -4.798571000000       0.413508000000      -0.642189000000     R=2.00
32 H      -6.676287000000       3.797660000000      -0.399321000000     R=1.30
33 H      -5.665394000000       0.244914000000      -2.601266000000     R=1.30
34 C      -4.076355000000      -0.902835000000      -0.680236000000     R=2.00
35 H      -4.278571000000      -1.423934000000      -1.632602000000     R=1.30
36 C      -2.089976000000      -2.224556000000      -0.187506000000     R=2.00
37 H      -2.291235000000      -2.863621000000      -1.065791000000     R=1.30
38 H      -1.000441000000      -2.125104000000      -0.082986000000     R=1.30
39 H      -5.615012000000       2.744339000000       2.741738000000     R=1.30
40 H      -4.152040000000       3.453709000000       2.072396000000     R=1.30
41 N       1.154803000000       0.029801000000       1.322683000000     R=1.83
42 H      -1.938914000000      -1.927610000000       5.028324000000     R=1.30
43 H      -4.478394000000      -6.489894000000       0.960033000000     R=1.30
44 H      -4.510728000000       2.532504000000      -5.547628000000     R=1.30
45 H      -2.830752000000       5.468984000000      -1.399606000000     R=1.30
46 H      -5.734091000000       4.226230000000       1.756401000000     R=1.30
47 H      -7.860768000000       3.265646000000      -2.519231000000     R=1.30
48 C      -2.984576000000      -2.157283000000       4.773121000000     R=2.00
49 H      -3.509593000000      -1.191347000000       4.731696000000     R=1.30
50 H      -3.417017000000      -2.761105000000       5.580499000000     R=1.30
51 C      -4.358250000000      -6.175707000000       2.005092000000     R=2.00
52 H      -3.734090000000      -6.928122000000       2.511808000000     R=1.30
53 H      -5.347605000000      -6.203892000000       2.485084000000     R=1.30
54 C      -2.526428000000       4.548645000000      -0.885830000000     R=2.00
55 H      -3.215344000000       4.377970000000      -0.045308000000     R=1.30
56 H      -1.526096000000       4.716763000000      -0.455643000000     R=1.30
57 C      -3.413503000000       2.609652000000      -5.474980000000     R=2.00
58 H      -3.131361000000       3.595095000000      -5.870847000000     R=1.30
59 H      -2.988821000000       1.840228000000      -6.134250000000     R=1.30
60 C      -7.046396000000       2.593786000000      -2.823471000000     R=2.00
61 H      -6.381404000000       3.164096000000      -3.492978000000     R=1.30
62 H      -7.478367000000       1.774835000000      -3.415314000000     R=1.30
63 C      -5.214793000000       3.264698000000       1.857955000000     R=2.00
64 O      -1.329277000000       1.813430000000       2.585452000000     R=1.72
65 C       2.098508000000      -0.862292000000       0.576166000000     R=2.00
66 O      -1.143056000000       3.191306000000       2.162701000000     R=1.72
67 H      -1.421010000000       3.111734000000       1.205917000000     R=1.30
68 C       1.658769000000       1.444913000000       1.293214000000     R=2.00
69 H       1.731472000000       1.738502000000       0.242602000000     R=1.30
70 H       2.637540000000       1.487856000000       1.783748000000     R=1.30
71 H       0.925928000000       2.067601000000       1.811759000000     R=1.30
72 H       2.129840000000      -0.511846000000      -0.458671000000     R=1.30
73 H       1.698482000000      -1.878712000000       0.621986000000     R=1.30
74 H       3.089595000000      -0.811032000000       1.039559000000     R=1.30
75 O      -0.066356000000      -0.036781000000       0.651091000000     R=1.72
76 C       1.032971000000      -0.446727000000       2.742705000000     R=2.00
77 H       2.030926000000      -0.465423000000       3.192947000000     R=1.30
78 H       0.587410000000      -1.444032000000       2.717101000000     R=1.30
79 H       0.378831000000       0.249406000000       3.273230000000     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

