ATOMS
1  O -3.785168391053112 0.5705429525591061 2.927291505650209    R=1.72
2  C -4.314991286550026 -0.6525942255771162 3.017142578678785    R=2.00
3  C -5.424270901726261 -0.8424830109484642 3.877790470577048    R=2.00
4  C -5.973406866064204 -2.118076149975648 3.991264513857188    R=2.00
5  C -5.475355932056866 -3.219988267477774 3.276956008544384    R=2.00
6  C -4.383599386948033 -3.005100207959797 2.435272656312158    R=2.00
7  C -3.785086001131004 -1.744208961917899 2.301022341097583    R=2.00
8  H -1.066517536816973 -1.569687560046876 -0.5446783768937073    R=1.30
9  H -6.826506483232199 -2.25901368338613 4.660735296620027    R=1.30
10 H -3.968930269793736 -3.842256471233001 1.86722972635187    R=1.30
11 H -4.520830703638342 -0.9109736689057387 0.1789370001298875    R=1.30
12 Ta -2.607283985067192 1.680851597480479 1.792079979206566     R=2.025
13 H -0.4349235779961283 -0.3726537750441562 0.6122804146979794    R=1.30
14 O -1.588507779746327 2.197143061495421 0.1589129016941691    R=1.72
15 N -2.522384310838702 -0.4438062745666763 0.5222403842310416    R=1.83
16 O -4.238829764818395 1.846005518821678 0.6074673886950751    R=1.72
17 C -1.230249068777231 1.786847386855569 -1.070340699479142    R=2.00
18 C -1.004729708702006 0.4223012449861893 -1.304982478400488    R=2.00
19 C -0.62945205348058 -0.005328905064394589 -2.579466957010842    R=2.00
20 C -0.4694155987809917 0.9010539058226814 -3.632159604570829    R=2.00
21 C -0.6897824819853796 2.259759238279336 -3.365576182640724    R=2.00
22 C -1.068021292783317 2.729154471154815 -2.105665391860989    R=2.00
23 C -1.191231383006079 -0.5380562914116441 -0.172554289658795    R=2.00
24 H -0.4772329805613865 -1.073356607435272 -2.756195310589826    R=1.30
25 H -0.5742389238158544 2.985330298748184 -4.175563634562149    R=1.30
26 C -4.362763586596805 1.719393568729099 -0.7270477479123852    R=2.00
27 C -4.820510576934293 2.798178404931943 -1.510607685011918    R=2.00
28 C -4.883098758573322 2.628650440730838 -2.897257765647305    R=2.00
29 C -4.517297853835573 1.431226344544572 -3.527098204608897    R=2.00
30 C -4.105000427423506 0.3666576740131207 -2.719665851962838    R=2.00
31 C -4.024365379345562 0.4965290750470029 -1.332930756716402    R=2.00
32 H -5.210043520459651 3.473210668014291 -3.51053245861835    R=1.30
33 H -3.807971794685554 -0.5787876101235506 -3.180567385896014    R=1.30
34 C -3.653978015789098 -0.6571378428664143 -0.4492197153502236    R=2.00
35 H -3.416006151708565 -1.54474340127686 -1.060521554793976    R=1.30
36 C -2.544347840469513 -1.60329849923853 1.468243006414417    R=2.00
37 H -2.399804298890095 -2.531576540604351 0.8877517365481304    R=1.30
38 H -1.658413762392425 -1.472796307516595 2.103210101445427    R=1.30
39 H -6.100151761005539 3.971414010992579 -0.2228161047637614    R=1.30
40 H -4.403689758049567 4.438396567822722 -0.1723229861999401    R=1.30
41 O -3.248841636619619 3.262856814539582 2.677995952879097    R=1.72
42 H -5.179180226487733 0.8088996984259476 5.241873709980745    R=1.30
43 H -5.522097660520557 -5.34946239507302 2.900194361025213    R=1.30
44 H -1.027063716407783 0.3583196002363211 -5.649911686769558    R=1.30
45 H -1.087990284103284 4.79574451227097 -2.713488247764543    R=1.30
46 H -5.401047921729556 4.873315346491916 -1.590465407001945    R=1.30
47 H -5.206285283942323 2.008690540415488 -5.499650012686776    R=1.30
48 C -5.967955736784142 0.3291942881211933 4.643416610954985    R=2.00
49 H -6.348956502127922 1.102487755016638 3.9599246236144    R=1.30
50 H -6.781482875638758 0.02017269686323629 5.311170493612961    R=1.30
51 C -6.115952673149578 -4.577894549087544 3.407416678123487    R=2.00
52 H -6.224809973535766 -4.869461363298743 4.462429517463235    R=1.30
53 H -7.124799648943249 -4.587235574825378 2.96631209048827    R=1.30
54 C -1.33369580584752 4.181931662115528 -1.83799189972459    R=2.00
55 H -2.394055186976674 4.337547055180332 -1.59025725198435    R=1.30
56 H -0.7542452325277961 4.542948661378367 -0.9757394267535857    R=1.30
57 C -0.12416237965235 0.4315189691906407 -5.02227415347333    R=2.00
58 H 0.562491216039785 1.127347125081753 -5.524569394573104    R=1.30
59 H 0.3446854410117506 -0.5615308221871425 -5.005760563260413    R=1.30
60 C -4.49510188565496 1.315906833584692 -5.029524076234336    R=2.00
61 H -3.492963838277271 1.556593099072888 -5.420816243781437    R=1.30
62 H -4.736589664596747 0.2964182654775057 -5.361208119240191    R=1.30
63 C -5.200798117020438 4.091782789647921 -0.8466130502533568    R=2.00
64 O -1.115383103242474 0.8517936767519956 3.014666420719231    R=1.72
65 H -0.1199719914122715 2.449872140165823 1.771895636937599    R=1.30
66 O -0.7641977244826289 2.610937003732511 2.489843294052497    R=1.72
67 C -4.56842672290519 3.670515314853021 2.991233701933977    R=2.00
68 S -1.328752199662926 -0.5922644090662195 4.575906311749452    R=2.16
69 C -1.257721288534872 -2.418603822550895 4.564771865007762    R=2.00
70 C 0.4026046174341312 -0.2774865078498455 4.980172633834476    R=2.00
71 H 0.625235896898518 -0.7187746137604909 5.959693584274122    R=1.30
72 H 0.5239205948455287 0.8090235446246478 5.00956145602893    R=1.30
73 H 1.049342652989887 -0.7073137352224355 4.206074854142466    R=1.30
74 H -0.9629933433628778 -2.744655838591957 5.571670022242737    R=1.30
75 H -0.5328587411151888 -2.783375203231323 3.826325162689956    R=1.30
76 H -2.262656795287238 -2.784106054372565 4.328688615863117    R=1.30
77 H -4.565437395804483 4.742991944713257 3.235535917155964    R=1.30
78 H -4.941696045135395 3.104155717460384 3.85876337139658    R=1.30
79 H -5.240671816596382 3.488623950616043 2.137892253679041    R=1.30
END


SOLVATION
    Surf Esurf
    Solvent 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

GEOMETRY
END

AnalyticalFreq
End

ScanFreq -1000 0

NumericalQuality Good

NOPRINT LOGFILE

