ATOMS
1 O      -0.173742000000      -0.276972000000       3.023559000000     R=1.72
2 C      -1.117661000000      -1.240870000000       3.232489000000     R=2.00
3 C      -1.049902000000      -1.955146000000       4.446444000000     R=2.00
4 C      -1.989785000000      -2.957971000000       4.685089000000     R=2.00
5 C      -2.993029000000      -3.284880000000       3.760628000000     R=2.00
6 C      -3.020243000000      -2.577340000000       2.558273000000     R=2.00
7 C      -2.106841000000      -1.548679000000       2.273114000000     R=2.00
8 H      -2.421708000000      -0.055920000000      -1.407855000000     R=1.30
9 H      -1.939324000000      -3.503577000000       5.631265000000     R=1.30
10 H      -3.758793000000      -2.846251000000       1.799458000000     R=1.30
11 H      -4.568469000000      -0.672756000000       1.505446000000     R=1.30
12 V      -2.983640000000       2.371883000000       2.350594000000     R=1.908
13 H      -1.384990000000       1.058720000000      -0.487928000000     R=1.30
14 O      -3.144804000000       3.225844000000       0.704963000000     R=1.72
15 N      -2.942205000000       0.281309000000       0.627518000000     R=1.83
16 O      -4.825830000000       1.953579000000       2.333504000000     R=1.72
17 C      -3.397340000000       3.125387000000      -0.601361000000     R=2.00
18 C      -3.124240000000       1.947452000000      -1.323844000000     R=2.00
19 C      -3.426668000000       1.900909000000      -2.686357000000     R=2.00
20 C      -3.993756000000       2.987724000000      -3.358979000000     R=2.00
21 C      -4.244318000000       4.153241000000      -2.621814000000     R=2.00
22 C      -3.961134000000       4.247038000000      -1.259634000000     R=2.00
23 C      -2.432564000000       0.779992000000      -0.680881000000     R=2.00
24 H      -3.222185000000       0.977721000000      -3.235294000000     R=1.30
25 H      -4.686915000000       5.018147000000      -3.123641000000     R=1.30
26 C      -5.602530000000       1.889780000000       1.235653000000     R=2.00
27 C      -6.621790000000       2.847351000000       1.049271000000     R=2.00
28 C      -7.397350000000       2.774935000000      -0.110601000000     R=2.00
29 C      -7.202955000000       1.781427000000      -1.079274000000     R=2.00
30 C      -6.210342000000       0.823343000000      -0.846725000000     R=2.00
31 C      -5.402940000000       0.863244000000       0.291037000000     R=2.00
32 H      -8.170302000000       3.531875000000      -0.271040000000     R=1.30
33 H      -6.035462000000       0.040051000000      -1.588836000000     R=1.30
34 C      -4.354523000000      -0.190388000000       0.539999000000     R=2.00
35 H      -4.431878000000      -0.969452000000      -0.243949000000     R=1.30
36 C      -2.064950000000      -0.904520000000       0.910905000000     R=2.00
37 H      -2.294707000000      -1.680971000000       0.154525000000     R=1.30
38 H      -1.035723000000      -0.574096000000       0.720190000000     R=1.30
39 H      -7.217874000000       3.486837000000       3.024071000000     R=1.30
40 H      -5.873860000000       4.398391000000       2.346361000000     R=1.30
41 O      -2.795090000000       3.677006000000       3.280532000000     R=1.72
42 H       1.019096000000      -1.764575000000       5.044228000000     R=1.30
43 H      -4.513720000000      -4.697252000000       3.150522000000     R=1.30
44 H      -5.438544000000       2.662927000000      -4.933684000000     R=1.30
45 H      -4.594295000000       6.302040000000      -1.124235000000     R=1.30
46 H      -7.533438000000       4.677355000000       1.736656000000     R=1.30
47 H      -8.958375000000       2.282270000000      -2.247691000000     R=1.30
48 C       0.009962000000      -1.606299000000       5.453158000000     R=2.00
49 H      -0.051284000000      -0.542859000000       5.727800000000     R=1.30
50 H      -0.096599000000      -2.213236000000       6.360683000000     R=1.30
51 C      -4.007601000000      -4.357381000000       4.063765000000     R=2.00
52 H      -3.540069000000      -5.228777000000       4.543364000000     R=1.30
53 H      -4.782304000000      -3.985293000000       4.752612000000     R=1.30
54 C      -4.268789000000       5.484803000000      -0.468607000000     R=2.00
55 H      -5.066581000000       5.284358000000       0.261725000000     R=1.30
56 H      -3.395977000000       5.816461000000       0.111888000000     R=1.30
57 C      -4.367735000000       2.895518000000      -4.815509000000     R=2.00
58 H      -4.185136000000       3.843981000000      -5.339872000000     R=1.30
59 H      -3.802913000000       2.104277000000      -5.326323000000     R=1.30
60 C      -7.986666000000       1.784004000000      -2.366014000000     R=2.00
61 H      -7.433973000000       2.323150000000      -3.152845000000     R=1.30
62 H      -8.163825000000       0.764078000000      -2.734653000000     R=1.30
63 C      -6.826948000000       3.914399000000       2.087657000000     R=2.00
64 O      -0.971069000000       1.989369000000       1.839448000000     R=1.72
65 O      -2.773759000000       1.111562000000       3.671523000000     R=1.72
66 H      -3.010700000000       0.203028000000       3.403576000000     R=1.30
67 H      -0.563830000000       0.515120000000       2.541929000000     R=1.30
68 N       0.078740000000       2.914525000000       2.038178000000     R=1.83
69 C       0.321360000000       3.109257000000       3.507236000000     R=2.00
70 C      -0.248368000000       4.220623000000       1.376702000000     R=2.00
71 H      -0.595404000000       3.518643000000       3.938526000000     R=1.30
72 H       1.163422000000       3.797340000000       3.635498000000     R=1.30
73 H       0.543396000000       2.128304000000       3.936706000000     R=1.30
74 H      -1.127472000000       4.638600000000       1.871890000000     R=1.30
75 H      -0.466937000000       4.012888000000       0.326292000000     R=1.30
76 H       0.616630000000       4.883995000000       1.479367000000     R=1.30
77 C       1.289092000000       2.313621000000       1.390263000000     R=2.00
78 H       1.056074000000       2.162512000000       0.333042000000     R=1.30
79 H       1.495895000000       1.357673000000       1.878739000000     R=1.30
80 H       2.132646000000       3.000768000000       1.511181000000     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

