ATOMS
1 O      -7.230593000000       1.753224000000       3.000466000000     R=1.72
2 C      -7.775974000000       0.903209000000       2.040163000000     R=2.00
3 C      -8.974608000000       1.238038000000       1.393487000000     R=2.00
4 C      -9.484794000000       0.330713000000       0.461433000000     R=2.00
5 C      -8.842110000000      -0.878965000000       0.169659000000     R=2.00
6 C      -7.645708000000      -1.161739000000       0.834904000000     R=2.00
7 C      -7.078460000000      -0.276746000000       1.760595000000     R=2.00
8 H      -3.418650000000      -1.320628000000       3.113568000000     R=1.30
9 H     -10.419527000000       0.578288000000      -0.047305000000     R=1.30
10 H      -7.136895000000      -2.108680000000       0.639967000000     R=1.30
11 H      -5.305566000000      -0.756227000000       0.016772000000     R=1.30
12 V      -4.093192000000       3.003474000000       0.811956000000     R=1.908
13 H      -3.727982000000       0.337112000000       3.675937000000     R=1.30
14 O      -2.784606000000       2.342379000000       1.798060000000     R=1.72
15 N      -4.559529000000      -0.065605000000       1.816479000000     R=1.83
16 O      -4.337443000000       1.853373000000      -0.551250000000     R=1.72
17 C      -1.783494000000       1.432345000000       1.889678000000     R=2.00
18 C      -2.076581000000       0.132260000000       2.337145000000     R=2.00
19 C      -1.030270000000      -0.790329000000       2.391206000000     R=2.00
20 C       0.270444000000      -0.461389000000       1.993502000000     R=2.00
21 C       0.516761000000       0.842524000000       1.544910000000     R=2.00
22 C      -0.488966000000       1.808687000000       1.483767000000     R=2.00
23 C      -3.459669000000      -0.259294000000       2.789001000000     R=2.00
24 H      -1.247752000000      -1.805449000000       2.731637000000     R=1.30
25 H       1.524129000000       1.117062000000       1.222915000000     R=1.30
26 C      -3.362093000000       0.980802000000      -0.974071000000     R=2.00
27 C      -2.458967000000       1.396244000000      -1.971959000000     R=2.00
28 C      -1.442142000000       0.512236000000      -2.341539000000     R=2.00
29 C      -1.309116000000      -0.755268000000      -1.760274000000     R=2.00
30 C      -2.254202000000      -1.145004000000      -0.807909000000     R=2.00
31 C      -3.285302000000      -0.297449000000      -0.392347000000     R=2.00
32 H      -0.726528000000       0.831253000000      -3.103452000000     R=1.30
33 H      -2.178528000000      -2.133343000000      -0.348950000000     R=1.30
34 C      -4.347852000000      -0.802695000000       0.554330000000     R=2.00
35 H      -4.147257000000      -1.875181000000       0.764153000000     R=1.30
36 C      -5.787096000000      -0.595019000000       2.470530000000     R=2.00
37 H      -5.703880000000      -1.697147000000       2.581921000000     R=1.30
38 H      -5.817349000000      -0.170561000000       3.482518000000     R=1.30
39 H      -3.598270000000       2.871927000000      -3.055302000000     R=1.30
40 H      -2.499885000000       3.557787000000      -1.865324000000     R=1.30
41 O      -3.619546000000       4.420876000000       0.197651000000     R=1.72
42 H      -9.933937000000       2.627505000000       2.766465000000     R=1.30
43 H      -9.031896000000      -2.850129000000      -0.700921000000     R=1.30
44 H       1.365698000000      -2.059368000000       1.048820000000     R=1.30
45 H       0.820495000000       3.340578000000       0.729307000000     R=1.30
46 H      -1.844862000000       2.895840000000      -3.387216000000     R=1.30
47 H       0.122242000000      -1.555401000000      -3.176035000000     R=1.30
48 C      -9.667441000000       2.538703000000       1.699689000000     R=2.00
49 H      -9.034725000000       3.403628000000       1.442400000000     R=1.30
50 H     -10.598199000000       2.626952000000       1.127617000000     R=1.30
51 C      -9.410234000000      -1.830512000000      -0.851307000000     R=2.00
52 H     -10.507517000000      -1.858028000000      -0.806638000000     R=1.30
53 H      -9.133467000000      -1.522290000000      -1.871697000000     R=1.30
54 C      -0.238781000000       3.197051000000       0.972529000000     R=2.00
55 H      -0.832736000000       3.392388000000       0.066103000000     R=1.30
56 H      -0.540527000000       3.955814000000       1.708550000000     R=1.30
57 C       1.363032000000      -1.497211000000       1.996601000000     R=2.00
58 H       2.353557000000      -1.036690000000       2.106471000000     R=1.30
59 H       1.224629000000      -2.225803000000       2.806486000000     R=1.30
60 C      -0.154552000000      -1.653699000000      -2.117555000000     R=2.00
61 H       0.734989000000      -1.392318000000      -1.522053000000     R=1.30
62 H      -0.387386000000      -2.707317000000      -1.914560000000     R=1.30
63 C      -2.601352000000       2.750801000000      -2.606773000000     R=2.00
64 H      -7.908536000000       2.404248000000       3.264961000000     R=1.30
65 O      -5.588654000000       3.403971000000       1.718751000000     R=1.72
66 H      -6.060773000000       2.687705000000       2.232334000000     R=1.30
67 H      -5.024137905822       5.195010426258      -0.060176078560     R=1.30
68 O      -5.925156007133       4.854966382874      -0.312182737745     R=1.72
69 O      -5.670372074888       3.408396754907      -0.310997504796     R=1.72
70 H      -6.653923951930       3.417850225140      -0.261447872344     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

