%chk=000180785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180785

0 1
S -2.702069 -1.705331 -1.240572
F 0.834151 1.385778 0.181800
F 2.286240 0.868797 1.600047
F 0.321599 -0.744197 2.013359
F 1.835782 -1.883905 1.108734
F 3.280985 1.594058 -0.854043
F 2.180346 0.113811 -1.846723
F 0.541982 -1.888663 -1.327862
F -0.582622 -2.664370 0.267222
F 3.484267 -1.907774 -0.377087
F 4.619540 -0.744614 -1.708837
F -1.767933 0.119371 0.411457
F -1.032301 0.260050 -1.560808
F 4.500189 -0.572004 1.822485
F 5.937492 -1.452608 0.567612
F 6.262742 1.283973 -0.655172
F 6.994345 0.859042 1.287596
F 5.203211 1.964395 1.055399
O -2.425634 -1.929393 -2.629532
O -2.859214 -2.776129 -0.318881
O -3.950397 -0.159772 0.914787
N -4.087061 -0.681955 -1.292563
N -5.899808 0.458159 -0.190825
C 1.710166 0.397960 0.469638
C 0.932581 -0.917429 0.820410
C 2.792367 0.347439 -0.663650
C -0.101114 -1.489625 -0.207211
C 3.984666 -0.659394 -0.517405
C -1.333340 -0.643343 -0.605891
C 5.056812 -0.425270 0.601313
C 5.868594 0.912632 0.566803
C -4.620634 -0.094904 -0.102146
C -6.390803 1.291453 0.940604
C -6.154323 2.790652 0.721344
C -7.096964 3.398773 -0.324816
C -6.860508 4.898085 -0.487062
H -4.582888 -0.576648 -2.188315
H -5.882073 0.958289 1.879698
H -7.474893 1.068496 1.066379
H -6.319395 0.654006 -1.095442
H -5.098511 2.974353 0.437800
H -6.284298 3.316981 1.689765
H -8.150990 3.217951 -0.033142
H -6.961329 2.895876 -1.301388
H -5.834766 5.116391 -0.806850
H -7.534747 5.327537 -1.237388
H -7.030942 5.440023 0.450859


%chk=000180785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180785

0 1
S -3.039018 -2.382606 -0.377968
F 0.726851 0.341679 1.961457
F 2.886755 -0.400821 2.057040
F 1.099328 -2.365409 2.176143
F 2.309548 -2.438655 0.245882
F 2.496744 1.943465 0.725451
F 0.961813 0.998720 -0.673818
F 0.151417 -1.575797 -1.239833
F -0.228668 -3.414221 0.078155
F 2.881694 -0.685358 -1.743859
F 3.274736 1.557265 -1.865581
F -1.586817 -1.610434 1.949958
F -1.507358 -0.051489 0.274311
F 4.839715 -0.999960 0.193304
F 5.491647 0.009103 -1.749334
F 5.365269 2.573691 -0.330644
F 6.889301 1.012184 0.288431
F 5.071460 1.383141 1.583164
O -2.598299 -2.891354 -1.850436
O -3.692397 -3.370881 0.706590
O -4.228444 -0.242268 1.435566
N -4.090183 -0.971402 -0.777749
N -5.667691 0.665620 -0.188027
C 1.758545 -0.283181 1.214249
C 1.267607 -1.754140 0.912246
C 2.136327 0.739480 0.068145
C -0.061820 -2.006508 0.087590
C 3.271860 0.444225 -0.990651
C -1.401667 -1.399623 0.598561
C 4.769681 0.198684 -0.548443
C 5.525748 1.318058 0.262869
C -4.658441 -0.167266 0.250991
C -6.282200 1.666635 0.709689
C -5.907361 3.121882 0.350899
C -6.413679 3.581060 -1.035942
C -6.067522 5.056305 -1.333028
H -4.240400 -0.865417 -1.787841
H -5.940779 1.418594 1.728865
H -7.382089 1.538252 0.678217
H -6.014457 0.592202 -1.144898
H -4.807327 3.237237 0.407745
H -6.337431 3.782934 1.130400
H -7.512980 3.439594 -1.090249
H -5.970407 2.941712 -1.827708
H -4.973682 5.217954 -1.310358
H -6.435400 5.366302 -2.327832
H -6.521025 5.727813 -0.580222


