ATOMS
1 O      -3.325408749489      -1.299554514992       2.251162414682     R=1.72
2 C      -3.796250563751      -2.328633850408       1.559340669239     R=2.00
3 C      -4.928352374632      -3.033332137908       2.038080617561     R=2.00
4 C      -5.389791677213      -4.109841844289       1.280060751200     R=2.00
5 C      -4.774464650165      -4.508444964415       0.078891080953     R=2.00
6 C      -3.660310885317      -3.788401784493      -0.364268309389     R=2.00
7 C      -3.150320321006      -2.702873382554       0.355887399266     R=2.00
8 H      -0.868949136614      -0.292180170041      -1.799987977253     R=1.30
9 H      -6.267780826581      -4.656651996369       1.633812779519     R=1.30
10 H      -3.176750243476      -4.069114041008      -1.303983834500     R=1.30
11 H      -4.186530631322      -1.127771058644      -0.700280015583     R=1.30
12 V      -2.604690853579       0.362231662516       2.031894859392     R=1.908
13 H      -0.189829070769      -0.137309744350      -0.168932282061     R=1.30
14 O      -1.887164400145       1.901850576689       1.288846655933     R=1.72
15 N      -2.247767246681      -0.475227502725      -0.209304738500     R=1.83
16 O      -4.300998146050       0.811031651809       1.388191037725     R=1.72
17 C      -1.482901620703       2.457121601544       0.133962841189     R=2.00
18 C      -1.092243460518       1.646986080159      -0.949537264985     R=2.00
19 C      -0.712328535779       2.244633774169      -2.151105210830     R=2.00
20 C      -0.679825961465       3.633139797710      -2.303836342692     R=2.00
21 C      -1.028618899167       4.421875506788      -1.196176535328     R=2.00
22 C      -1.430734885853       3.870021206312       0.024016596557     R=2.00
23 C      -1.037503628240       0.160057025711      -0.805851991527     R=2.00
24 H      -0.443405364828       1.602037045450      -2.994059630669     R=1.30
25 H      -1.010425356457       5.511274846997      -1.292320160506     R=1.30
26 C      -4.594452436596       1.513732533427       0.283370998498     R=2.00
27 C      -5.270198843239       2.743683481499       0.392445143261     R=2.00
28 C      -5.503535511460       3.469613621136      -0.776511670712     R=2.00
29 C      -5.096407484156       3.010764830808      -2.035854381114     R=2.00
30 C      -4.473712410256       1.755509045062      -2.115180639594     R=2.00
31 C      -4.207309852888       0.995959298291      -0.974167564904     R=2.00
32 H      -5.998796630940       4.441435130207      -0.697367485675     R=1.30
33 H      -4.132142481548       1.386367134276      -3.085247332255     R=1.30
34 C      -3.495643090436      -0.347183972111      -1.049852541168     R=2.00
35 H      -3.246802730103      -0.578412514661      -2.099959063009     R=1.30
36 C      -1.939719015314      -1.936408715253      -0.148177342178     R=2.00
37 H      -1.643608787809      -2.321961824409      -1.141231276965     R=1.30
38 H      -1.066613942399      -2.030748586584       0.524230846692     R=1.30
39 H      -6.401394228509       2.550729607896       2.224810936115     R=1.30
40 H      -4.820670738795       3.310387847537       2.426695513781     R=1.30
41 O      -2.389281562459       0.911986446677       3.773418555618     R=1.72
42 H      -4.895215405874      -2.658341048224       4.162442187590     R=1.30
43 H      -4.859162281154      -5.730985989008      -1.706751843657     R=1.30
44 H      -1.229381123772       4.460836227961      -4.224833398887     R=1.30
45 H      -1.687263152263       5.790268144314       0.963287399483     R=1.30
46 H      -6.151661473211       4.232511827069       1.681288423304     R=1.30
47 H      -6.097334514818       4.576626849904      -3.147969467985     R=1.30
48 C      -5.593380138243      -2.597705230641       3.312497274127     R=2.00
49 H      -5.911906231256      -1.545183914216       3.247639719544     R=1.30
50 H      -6.469260525035      -3.221507732824       3.530680702615     R=1.30
51 C      -5.294562438810      -5.690598543169      -0.699106373445     R=2.00
52 H      -5.046167418302      -6.636328060534      -0.189687606554     R=1.30
53 H      -6.389706691681      -5.654083879181      -0.797073866513     R=1.30
54 C      -1.853710446778       4.727384731373       1.180792783522     R=2.00
55 H      -2.923521905407       4.579585321591       1.394347020811     R=1.30
56 H      -1.310396212134       4.460768163477       2.099072497092     R=1.30
57 C      -0.323604194917       4.256941861881      -3.629732605756     R=2.00
58 H       0.199018039537       5.214353103461      -3.497923032999     R=1.30
59 H       0.317789337858       3.592169395113      -4.225899073890     R=1.30
60 C      -5.260188753131       3.874103282163      -3.259005511147     R=2.00
61 H      -4.350057663768       4.471077497525      -3.433499268400     R=1.30
62 H      -5.430807251204       3.270457281597      -4.160536024935     R=1.30
63 C      -5.686405266664       3.240253169262       1.749100361670     R=2.00
64 H      -2.970706860018       1.679539482618       4.007700550999     R=1.30
65 H      -0.191533945968       0.479638633341       2.102482613820     R=1.30
66 O      -0.831435246282      -0.259576722308       2.140281433802     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
END

AnalyticalFreq
END

NumericalQuality Good

NOPRINT LOGFILE

