ATOMS
1 O      -1.666393000000      -1.715873000000       2.477345000000     R=1.72
2 C      -2.690829000000      -2.430426000000       1.944669000000     R=2.00
3 C      -3.207348000000      -3.455330000000       2.770912000000     R=2.00
4 C      -4.214636000000      -4.279506000000       2.273722000000     R=2.00
5 C      -4.726424000000      -4.133692000000       0.975516000000     R=2.00
6 C      -4.196599000000      -3.111577000000       0.188500000000     R=2.00
7 C      -3.201205000000      -2.232235000000       0.647832000000     R=2.00
8 H      -2.667646000000       0.647818000000      -2.122564000000     R=1.30
9 H      -4.613082000000      -5.064277000000       2.922605000000     R=1.30
10 H      -4.565410000000      -2.982565000000      -0.832441000000     R=1.30
11 H      -5.160272000000      -0.831969000000       0.131835000000     R=1.30
12 V      -3.322268000000       2.444132000000       2.458510000000     R=1.908
13 H      -1.637053000000       1.122461000000      -0.740031000000     R=1.30
14 O      -2.365638000000       3.036468000000       0.964382000000     R=1.72
15 N      -3.382102000000       0.165770000000      -0.173943000000     R=1.83
16 O      -4.832816000000       1.930672000000       1.661668000000     R=1.72
17 C      -3.008906000000       3.427571000000      -0.167499000000     R=2.00
18 C      -3.209609000000       2.491004000000      -1.204448000000     R=2.00
19 C      -3.855959000000       2.912100000000      -2.370648000000     R=2.00
20 C      -4.329648000000       4.216768000000      -2.529618000000     R=2.00
21 C      -4.091190000000       5.129241000000      -1.494174000000     R=2.00
22 C      -3.427849000000       4.767910000000      -0.318853000000     R=2.00
23 C      -2.677611000000       1.082334000000      -1.097433000000     R=2.00
24 H      -4.018572000000       2.181480000000      -3.167375000000     R=1.30
25 H      -4.434673000000       6.161862000000      -1.602140000000     R=1.30
26 C      -5.787409000000       2.000707000000       0.716904000000     R=2.00
27 C      -6.784992000000       2.997340000000       0.836082000000     R=2.00
28 C      -7.743991000000       3.100850000000      -0.169405000000     R=2.00
29 C      -7.741155000000       2.252468000000      -1.284748000000     R=2.00
30 C      -6.745757000000       1.275581000000      -1.365798000000     R=2.00
31 C      -5.758215000000       1.125389000000      -0.387532000000     R=2.00
32 H      -8.509654000000       3.876207000000      -0.085491000000     R=1.30
33 H      -6.719253000000       0.611581000000      -2.233540000000     R=1.30
34 C      -4.793286000000      -0.028264000000      -0.523620000000     R=2.00
35 H      -4.885197000000      -0.416362000000      -1.564211000000     R=1.30
36 C      -2.687567000000      -1.145855000000      -0.268002000000     R=2.00
37 H      -2.754847000000      -1.523111000000      -1.313970000000     R=1.30
38 H      -1.623875000000      -0.947247000000      -0.077142000000     R=1.30
39 H      -6.852173000000       3.373594000000       2.962602000000     R=1.30
40 H      -5.827883000000       4.482863000000       2.069672000000     R=1.30
41 O      -3.691323000000       3.701073000000       3.397209000000     R=1.72
42 H      -1.586307000000      -3.846040000000       4.147980000000     R=1.30
43 H      -5.928928000000      -4.957544000000      -0.622849000000     R=1.30
44 H      -6.196984000000       4.476206000000      -3.576191000000     R=1.30
45 H      -3.531092000000       6.759592000000       0.494260000000     R=1.30
46 H      -7.604207000000       4.640177000000       1.956855000000     R=1.30
47 H      -9.723464000000       2.752739000000      -1.996317000000     R=1.30
48 C      -2.663441000000      -3.619771000000       4.162093000000     R=2.00
49 H      -2.780243000000      -2.686424000000       4.732396000000     R=1.30
50 H      -3.183253000000      -4.427151000000       4.692658000000     R=1.30
51 C      -5.828454000000      -5.028449000000       0.468428000000     R=2.00
52 H      -5.644864000000      -6.080967000000       0.728091000000     R=1.30
53 H      -6.799922000000      -4.752361000000       0.908679000000     R=1.30
54 C      -3.148504000000       5.768237000000       0.767419000000     R=2.00
55 H      -3.599658000000       5.463654000000       1.723501000000     R=1.30
56 H      -2.067382000000       5.849181000000       0.956619000000     R=1.30
57 C      -5.117445000000       4.614070000000      -3.750799000000     R=2.00
58 H      -4.961601000000       5.670674000000      -4.008510000000     R=1.30
59 H      -4.847672000000       4.001318000000      -4.621598000000     R=1.30
60 C      -8.751400000000       2.423478000000      -2.388049000000     R=2.00
61 H      -8.416518000000       3.187952000000      -3.108001000000     R=1.30
62 H      -8.898884000000       1.490173000000      -2.947315000000     R=1.30
63 C      -6.774371000000       3.925632000000       2.014461000000     R=2.00
64 O      -0.373324000000       0.446154000000       1.502685000000     R=1.72
65 O      -2.655655000000       1.103189000000       3.530807000000     R=1.72
66 H      -0.965055000000       1.268770000000       2.375935000000     R=1.30
67 H      -1.398820000000      -0.920825000000       1.943176000000     R=1.30
68 N       0.960903000000       0.212616000000       1.885172000000     R=1.83
69 C       1.745399000000       1.467171000000       1.647194000000     R=2.00
70 C       1.479904000000      -0.895712000000       1.022795000000     R=2.00
71 H       1.633018000000       1.728955000000       0.592108000000     R=1.30
72 H       2.795513000000       1.289469000000       1.902470000000     R=1.30
73 H       1.321589000000       2.251711000000       2.280512000000     R=1.30
74 H       1.370138000000      -0.581224000000      -0.018372000000     R=1.30
75 H       0.870741000000      -1.781948000000       1.221854000000     R=1.30
76 H       2.530620000000      -1.080108000000       1.269619000000     R=1.30
77 C       1.039434000000      -0.184372000000       3.333286000000     R=2.00
78 H       0.420611000000      -1.075527000000       3.467857000000     R=1.30
79 H       0.648179000000       0.643164000000       3.931345000000     R=1.30
80 H       2.085443000000      -0.384655000000       3.586902000000     R=1.30
81 O      -1.485651000000       1.904442000000       3.147386000000     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

GEOMETRY
	step trustradius=0.05
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

