%chk=000181565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181565

0 1
S 0.875006 1.885817 -0.362876
O -2.269180 -1.470093 -1.811331
O 1.291682 -0.981299 1.238138
O -5.613161 0.639331 2.107892
O -6.587564 1.438682 0.255153
O 3.280487 1.809119 -1.483175
O 4.478010 -0.335124 -1.434430
O 5.356853 -0.091396 0.622002
N -1.000682 -0.551688 -0.162694
N 2.453164 -1.769345 -0.575401
N -7.220709 -1.370587 -0.231652
N 3.043175 3.249325 0.311780
C 0.243257 -0.697052 -0.942363
C -4.710763 -1.040852 -0.534146
C -3.406473 -0.835664 0.238918
C -5.941152 -0.958200 0.390816
C -2.219219 -0.995675 -0.688280
C 0.628005 0.612731 -1.631342
C 1.363105 -1.124207 0.033313
C -6.126439 0.490848 0.837865
C 3.717003 -1.875466 0.177830
C 2.625610 2.305413 -0.587586
C 4.466266 3.692195 0.355378
C 4.617995 -0.686859 -0.122821
C 5.222051 3.028459 1.497493
H 0.077211 -1.490325 -1.735512
H -4.785265 -0.300505 -1.359115
H -4.685350 -2.028106 -1.045235
H -3.403788 0.159360 0.734205
H -3.325793 -1.573027 1.068354
H -5.782440 -1.603118 1.302616
H -0.896613 -0.189650 0.788557
H -0.182155 0.950418 -2.313665
H 1.541352 0.506633 -2.260931
H 2.582744 -1.708910 -1.589911
H -7.180565 -2.337973 -0.539069
H -7.449417 -0.792007 -1.038516
H 3.511737 -1.914876 1.282177
H 4.234946 -2.827339 -0.089340
H 2.462555 3.526023 1.103049
H 4.468505 4.800895 0.465844
H 4.951806 3.459812 -0.622186
H -5.730616 1.558813 2.467855
H 4.762873 3.213208 2.474574
H 5.279672 1.932026 1.370564
H 6.256912 3.389093 1.548262
H 4.840163 0.580041 -1.654357


%chk=000181565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181565

0 1
S 0.725270 1.552784 -0.561607
O -2.128403 -1.361297 -2.003073
O 1.234243 -1.404172 1.565205
O -5.573958 -0.941683 2.375058
O -6.268811 1.192017 1.782597
O 3.281438 1.680797 -1.673615
O 4.519452 -0.541686 -1.218087
O 5.022973 0.206218 0.935909
N -0.892067 -1.155506 -0.057335
N 2.643286 -2.110489 -0.162000
N -6.941718 0.199706 -0.749631
N 2.719399 3.310132 -0.103107
C 0.391334 -1.296508 -0.743901
C -4.450300 -0.293460 -0.570248
C -3.351979 -1.128671 0.126044
C -5.893417 -0.492025 0.011212
C -2.090893 -1.218745 -0.737405
C 0.752912 -0.036158 -1.587349
C 1.453713 -1.615928 0.333837
C -5.953640 0.030005 1.442900
C 3.906496 -1.987566 0.586925
C 2.461571 2.201094 -0.854399
C 4.029796 4.003215 -0.105232
C 4.573625 -0.665846 0.162350
C 4.861492 3.690686 1.155969
H 0.317340 -2.130738 -1.472952
H -4.197298 0.784283 -0.546004
H -4.480407 -0.597562 -1.633717
H -3.113519 -0.731547 1.129196
H -3.726946 -2.161136 0.279538
H -6.099659 -1.578639 0.040584
H -0.831436 -1.057921 0.963744
H -0.008057 0.082090 -2.373301
H 1.758002 -0.095254 -2.042636
H 2.752894 -2.174719 -1.177896
H -6.914465 0.032327 -1.757912
H -7.057310 1.184762 -0.492477
H 3.688323 -1.954410 1.664149
H 4.566920 -2.844507 0.369872
H 2.015126 3.612712 0.574877
H 3.841505 5.089372 -0.197053
H 4.563366 3.674725 -1.012056
H -5.603856 -0.548962 3.290403
H 4.337160 4.011780 2.075057
H 5.070486 2.610054 1.227908
H 5.823437 4.233323 1.110012
H 4.381381 0.421951 -1.513653


