%chk=000276543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276543

0 1
S -2.749589 5.046670 0.890659
S -1.924028 -4.127879 -0.233858
O -0.441456 4.922932 -0.483309
O -1.600557 -1.519664 0.309615
N 1.212231 0.749200 -1.006479
N -1.721558 2.974594 -0.329407
N 0.305253 -2.758024 -0.242299
C 0.052639 1.233513 -0.206594
C 1.142396 -0.685680 -1.360710
C -0.826755 2.105801 -1.130300
C 1.280194 -1.644030 -0.150223
C 2.484558 1.345169 -0.748725
C -2.907184 2.503260 0.303326
C 0.658627 -4.079038 -0.639965
C -3.603431 3.523141 0.997572
C -0.450659 -4.959391 -0.677719
C -1.409845 4.331096 -0.097687
C -1.068419 -2.552122 0.002578
C 2.542415 2.726553 -0.445547
C 3.685545 0.618645 -0.885205
C -3.399553 1.192414 0.297463
C 1.937998 -4.544048 -0.968956
C -4.791819 3.263846 1.664273
C -0.304914 -6.292464 -1.032885
C 3.776283 3.349299 -0.281248
C 4.912854 1.266294 -0.720742
C -4.596641 0.937880 0.972617
C 2.077879 -5.888397 -1.326352
C -5.290159 1.955664 1.643288
C 0.975920 -6.754539 -1.359144
C 4.968797 2.626114 -0.413320
H 0.381549 1.817094 0.682990
H -0.550730 0.384268 0.199111
H 1.921207 -0.910608 -2.124030
H 0.166280 -0.849916 -1.877998
H -1.433116 1.473216 -1.814115
H -0.186217 2.755484 -1.778826
H 1.100071 -1.098579 0.808070
H 2.311430 -2.052162 -0.078806
H 1.631276 3.322498 -0.363973
H 3.678425 -0.438035 -1.128182
H -2.862346 0.380912 -0.196456
H 2.800698 -3.882960 -0.947902
H -5.324177 4.053814 2.192694
H -1.162313 -6.965201 -1.058655
H 3.811523 4.415211 -0.051571
H 5.835495 0.697288 -0.832081
H -4.994116 -0.078550 0.980276
H 3.067141 -6.269946 -1.585435
H -6.221414 1.725441 2.157273
H 1.117145 -7.796959 -1.641341
H 5.925866 3.122382 -0.282060


%chk=000276543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276543

0 1
S -2.988534 5.260596 0.955296
S -1.984005 -4.531675 -0.694101
O -0.441680 5.146006 -0.187604
O -2.051074 -1.882462 0.184004
N 1.191434 0.723518 -0.442677
N -1.725674 3.156892 -0.116668
N 0.061583 -2.889427 -0.159285
C 0.165347 1.541501 0.216421
C 0.757376 -0.597834 -0.902415
C -0.697406 2.347026 -0.796377
C 0.787966 -1.662752 0.233101
C 2.503076 1.205028 -0.660775
C -2.956004 2.637395 0.354130
C 0.668736 -4.087448 -0.605017
C -3.785349 3.625627 0.953537
C -0.274399 -5.100919 -0.934539
C -1.480159 4.517096 0.113843
C -1.337509 -2.860596 -0.142078
C 2.821451 2.586853 -0.482177
C 3.553757 0.325072 -1.063552
C -3.385293 1.292724 0.285789
C 2.052374 -4.338198 -0.737124
C -5.049679 3.297247 1.471288
C 0.142165 -6.363438 -1.389743
C 4.135150 3.053170 -0.691033
C 4.859686 0.809952 -1.281323
C -4.655711 0.963989 0.808529
C 2.471265 -5.607150 -1.194448
C -5.485126 1.952621 1.391554
C 1.528924 -6.613365 -1.518073
C 5.168494 2.176298 -1.094223
H 0.635825 2.236928 0.932012
H -0.501214 0.879599 0.800970
H 1.365066 -0.928057 -1.761724
H -0.288296 -0.529625 -1.257359
H -1.196412 1.664630 -1.507858
H -0.054880 3.036216 -1.368182
H 0.285240 -1.245903 1.123160
H 1.819279 -1.923043 0.518679
H 2.048546 3.311191 -0.205642
H 3.363153 -0.745426 -1.195898
H -2.757792 0.501701 -0.135334
H 2.793134 -3.570705 -0.492295
H -5.682861 4.063534 1.929031
H -0.589681 -7.137299 -1.640469
H 4.344456 4.119660 -0.549855
H 5.643453 0.108237 -1.590178
H -4.988762 -0.077847 0.766150
H 3.541852 -5.810938 -1.299747
H -6.466647 1.678208 1.791405
H 1.871459 -7.590966 -1.871500
H 6.184600 2.548062 -1.259923


