ATOMS
1 O      -5.027740000000      -0.785111000000       0.130211000000     R=1.72
2 C      -4.998317000000      -0.503718000000      -1.203703000000     R=2.00
3 C      -4.400214000000      -1.432281000000      -2.074719000000     R=2.00
4 C      -4.351452000000      -1.124028000000      -3.436873000000     R=2.00
5 C      -4.864367000000       0.071347000000      -3.959027000000     R=2.00
6 C      -5.459415000000       0.969167000000      -3.066587000000     R=2.00
7 C      -5.539894000000       0.697710000000      -1.699406000000     R=2.00
8 H      -3.852750000000       3.337052000000       0.937801000000     R=1.30
9 H      -3.874061000000      -1.838236000000      -4.113884000000     R=1.30
10 H      -5.863026000000       1.915030000000      -3.438852000000     R=1.30
11 H      -6.985663000000       3.069254000000       1.211850000000     R=1.30
12 V      -2.800145000000       1.931388000000       3.381215000000     R=1.908
13 H      -4.327948000000       3.409576000000      -0.768559000000     R=1.30
14 O      -2.971532000000       0.832780000000       1.889528000000     R=1.72
15 N      -5.334376000000       1.951377000000       0.429326000000     R=1.83
16 O      -4.550793000000       1.619735000000       3.803088000000     R=1.72
17 C      -2.460385000000       0.896120000000       0.643932000000     R=2.00
18 C      -2.954454000000       1.830844000000      -0.293932000000     R=2.00
19 C      -2.382233000000       1.881478000000      -1.564802000000     R=2.00
20 C      -1.364611000000       1.005221000000      -1.954943000000     R=2.00
21 C      -0.935328000000       0.048600000000      -1.026127000000     R=2.00
22 C      -1.467085000000      -0.034012000000       0.263226000000     R=2.00
23 C      -4.121294000000       2.719456000000       0.071064000000     R=2.00
24 H      -2.783671000000       2.594036000000      -2.289642000000     R=1.30
25 H      -0.174184000000      -0.678194000000      -1.323707000000     R=1.30
26 C      -5.685495000000       0.954714000000       3.530966000000     R=2.00
27 C      -6.030838000000      -0.158477000000       4.330223000000     R=2.00
28 C      -7.249576000000      -0.796709000000       4.090743000000     R=2.00
29 C      -8.140630000000      -0.364437000000       3.099787000000     R=2.00
30 C      -7.764935000000       0.733113000000       2.316803000000     R=2.00
31 C      -6.547835000000       1.394007000000       2.499103000000     R=2.00
32 H      -7.514797000000      -1.660402000000       4.706580000000     R=1.30
33 H      -8.441615000000       1.085405000000       1.533969000000     R=1.30
34 C      -6.108325000000       2.500223000000       1.569361000000     R=2.00
35 H      -5.464781000000       3.198223000000       2.116925000000     R=1.30
36 C      -6.189609000000       1.655880000000      -0.733828000000     R=2.00
37 H      -7.108909000000       1.193758000000      -0.340001000000     R=1.30
38 H      -6.488946000000       2.585349000000      -1.260166000000     R=1.30
39 H      -4.094858000000      -0.835170000000       4.998949000000     R=1.30
40 H      -4.942168000000       0.169840000000       6.164721000000     R=1.30
41 O      -2.792570000000       3.512115000000       3.051072000000     R=1.72
42 H      -3.337871000000      -3.292114000000      -2.311993000000     R=1.30
43 H      -4.782480000000      -0.499293000000      -6.048722000000     R=1.30
44 H       0.179432000000       0.591472000000      -3.417997000000     R=1.30
45 H      -0.405768000000      -1.849743000000       0.726244000000     R=1.30
46 H      -5.474926000000      -1.514098000000       5.909126000000     R=1.30
47 H      -9.414231000000      -2.112757000000       3.147949000000     R=1.30
48 C      -3.799155000000      -2.691648000000      -1.517724000000     R=2.00
49 H      -3.032643000000      -2.448570000000      -0.767000000000     R=1.30
50 H      -4.553333000000      -3.308825000000      -1.006701000000     R=1.30
51 C      -4.724482000000       0.402571000000      -5.423452000000     R=2.00
52 H      -5.506590000000       1.099616000000      -5.754317000000     R=1.30
53 H      -3.752552000000       0.879707000000      -5.631504000000     R=1.30
54 C      -1.037291000000      -1.103647000000       1.225195000000     R=2.00
55 H      -0.478819000000      -0.675560000000       2.069387000000     R=1.30
56 H      -1.915904000000      -1.607067000000       1.653954000000     R=1.30
57 C      -0.830738000000       1.019379000000      -3.363233000000     R=2.00
58 H      -1.479817000000       0.422696000000      -4.024610000000     R=1.30
59 H      -0.798496000000       2.038369000000      -3.773183000000     R=1.30
60 C      -9.470463000000      -1.043946000000       2.900477000000     R=2.00
61 H     -10.243976000000      -0.599744000000       3.547485000000     R=1.30
62 H      -9.817402000000      -0.947359000000       1.862849000000     R=1.30
63 C      -5.091196000000      -0.616232000000       5.409211000000     R=2.00
64 O      -0.744716000000       1.667927000000       2.864821000000     R=1.72
65 O      -2.146785000000       1.718466000000       5.115930000000     R=1.72
66 O      -1.711018000000       0.354665000000       4.809445000000     R=1.72
67 H      -5.097120000000       0.101856000000       0.594529000000     R=1.30
68 N       0.216371000000       2.673242000000       2.654446000000     R=1.83
69 C       0.296008000000       3.606290000000       3.826152000000     R=2.00
70 C      -0.123171000000       3.421350000000       1.397462000000     R=2.00
71 H       0.506030000000       3.004139000000       4.713911000000     R=1.30
72 H      -0.671036000000       4.104554000000       3.921647000000     R=1.30
73 H       1.096592000000       4.330723000000       3.643500000000     R=1.30
74 H       0.666975000000       4.152991000000       1.198828000000     R=1.30
75 H      -1.085451000000       3.912021000000       1.557938000000     R=1.30
76 H      -0.201030000000       2.685572000000       0.591901000000     R=1.30
77 C       1.519891000000       1.958190000000       2.475847000000     R=2.00
78 H       1.728303000000       1.408869000000       3.397849000000     R=1.30
79 H       2.306184000000       2.692784000000       2.272962000000     R=1.30
80 H       1.400850000000       1.267812000000       1.636513000000     R=1.30
81 H      -0.901015000000       0.573674000000       4.262957000000     R=1.30
82 S      -2.753139996864       3.997529789445       5.577947932605     R=2.16
83 H      -0.699016068064       4.967149578145       6.321282083358     R=1.30
84 H      -4.698835004804       4.964395273191       6.573726714063     R=1.30
85 C      -4.378207144943       4.794486390932       5.567134071923     R=2.00
86 H      -4.313520240700       5.729422594148       5.050791256821     R=1.30
87 H      -5.082941246380       4.160770347408       5.070491519552     R=1.30
88 C      -1.460633753586       5.263528229553       5.630631523313     R=2.00
89 H      -1.033578852646       5.378006611132       4.656250276518     R=1.30
90 H      -1.885228062038       6.193836419659       5.945506652571     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

GEOMETRY
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

