ATOMS
1 O      -2.113564000000       0.364758000000       2.639957000000     R=1.72
2 C      -2.589428000000      -0.781455000000       3.136293000000     R=2.00
3 C      -3.121919000000      -0.803915000000       4.446819000000     R=2.00
4 C      -3.618267000000      -2.010575000000       4.940966000000     R=2.00
5 C      -3.611318000000      -3.194980000000       4.186158000000     R=2.00
6 C      -3.087770000000      -3.139860000000       2.891477000000     R=2.00
7 C      -2.571627000000      -1.953895000000       2.357048000000     R=2.00
8 H      -1.958557000000      -2.063514000000      -1.588606000000     R=1.30
9 H      -4.034364000000      -2.027135000000       5.952344000000     R=1.30
10 H      -3.077648000000      -4.042591000000       2.274708000000     R=1.30
11 H      -4.376054000000      -1.302216000000       0.929507000000     R=1.30
12 Ti      -2.155368000000       1.325604000000       1.014832000000     R=1.992
13 H      -0.736437000000      -0.920956000000      -0.993096000000     R=1.30
14 O      -1.991419000000       1.767046000000      -0.804811000000     R=1.72
15 N      -2.527506000000      -0.869163000000       0.074161000000     R=1.83
16 O      -4.031001000000       1.458988000000       1.023854000000     R=1.72
17 C      -2.234147000000       1.311303000000      -2.046279000000     R=2.00
18 C      -2.188357000000      -0.068736000000      -2.313119000000     R=2.00
19 C      -2.479414000000      -0.523839000000      -3.600099000000     R=2.00
20 C      -2.814296000000       0.357707000000      -4.633098000000     R=2.00
21 C      -2.845802000000       1.727565000000      -4.340256000000     R=2.00
22 C      -2.566066000000       2.227367000000      -3.066425000000     R=2.00
23 C      -1.805636000000      -1.030867000000      -1.225513000000     R=2.00
24 H      -2.458212000000      -1.599401000000      -3.794941000000     R=1.30
25 H      -3.113165000000       2.435148000000      -5.129955000000     R=1.30
26 C      -4.791466000000       1.261471000000      -0.078682000000     R=2.00
27 C      -5.560122000000       2.320863000000      -0.599755000000     R=2.00
28 C      -6.291978000000       2.092642000000      -1.768221000000     R=2.00
29 C      -6.289424000000       0.854812000000      -2.426038000000     R=2.00
30 C      -5.540932000000      -0.184532000000      -1.865757000000     R=2.00
31 C      -4.786543000000       0.000685000000      -0.705786000000     R=2.00
32 H      -6.868978000000       2.919392000000      -2.191960000000     R=1.30
33 H      -5.511010000000      -1.157093000000      -2.363022000000     R=1.30
34 C      -3.996849000000      -1.119801000000      -0.087016000000     R=2.00
35 H      -4.140292000000      -2.048246000000      -0.668165000000     R=1.30
36 C      -1.959377000000      -1.915449000000       0.987628000000     R=2.00
37 H      -2.067419000000      -2.906449000000       0.510854000000     R=1.30
38 H      -0.884399000000      -1.694806000000       1.060253000000     R=1.30
39 H      -5.984397000000       3.590263000000       1.096121000000     R=1.30
40 H      -4.509696000000       4.009633000000       0.232346000000     R=1.30
41 S       1.239021000000       1.114615000000       0.137468000000     R=2.16
42 H      -2.130417000000       0.859142000000       5.401150000000     R=1.30
43 H      -4.194444000000      -5.270043000000       4.001907000000     R=1.30
44 H      -4.274184000000      -0.310611000000      -6.080958000000     R=1.30
45 H      -2.881829000000       4.277965000000      -3.647221000000     R=1.30
46 H      -6.098501000000       4.405704000000      -0.485457000000     R=1.30
47 H      -7.869526000000       1.343437000000      -3.827601000000     R=1.30
48 C      -3.147154000000       0.465715000000       5.249825000000     R=2.00
49 H      -3.706276000000       1.251905000000       4.720562000000     R=1.30
50 H      -3.609040000000       0.303811000000       6.231729000000     R=1.30
51 C      -4.149958000000      -4.479788000000       4.762755000000     R=2.00
52 H      -3.517510000000      -4.843989000000       5.587334000000     R=1.30
53 H      -5.162066000000      -4.342713000000       5.171350000000     R=1.30
54 C      -2.653870000000       3.692416000000      -2.747935000000     R=2.00
55 H      -3.441154000000       3.875107000000      -2.001748000000     R=1.30
56 H      -1.718160000000       4.070898000000      -2.310617000000     R=1.30
57 C      -3.186322000000      -0.151880000000      -6.001934000000     R=2.00
58 H      -2.905046000000       0.562230000000      -6.788074000000     R=1.30
59 H      -2.700545000000      -1.112770000000      -6.219541000000     R=1.30
60 C      -7.006006000000       0.670288000000      -3.738651000000     R=2.00
61 H      -6.329350000000       0.889150000000      -4.580941000000     R=1.30
62 H      -7.358615000000      -0.362598000000      -3.864872000000     R=1.30
63 C      -5.541764000000       3.655710000000       0.090380000000     R=2.00
64 O       0.041761000000       0.628516000000       0.865978000000     R=1.72
65 C       0.964079000000       2.790678000000      -0.392448000000     R=2.00
66 O      -1.546182000000       2.943768000000       1.730910000000     R=1.72
67 H      -1.430286000000       2.936438000000       2.697625000000     R=1.30
68 C       2.535840000000       1.226839000000       1.352014000000     R=2.00
69 H       2.199092000000       1.884394000000       2.160774000000     R=1.30
70 H       3.437292000000       1.613103000000       0.864471000000     R=1.30
71 H       2.696879000000       0.206908000000       1.719980000000     R=1.30
72 H       0.559840000000       3.356382000000       0.454977000000     R=1.30
73 H       0.214426000000       2.731282000000      -1.188709000000     R=1.30
74 H       1.914030000000       3.190435000000      -0.761917000000     R=1.30
75 O       1.697016000000       0.309841000000      -0.993954000000     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

