%chk=000299437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299437

0 1
S -1.094345 -0.933213 -1.230146
O -1.520450 -2.316408 -1.410066
O -0.964923 -0.081961 -2.398883
N 0.763134 0.384806 -0.043328
N 1.915016 0.843892 -0.015488
C 0.536777 -1.032738 -0.415938
C 1.512247 -1.666341 -1.422338
C 0.407613 -1.890629 0.857701
C 2.862941 -2.039251 -0.796398
C 1.775794 -2.218159 1.470843
C 2.684091 -2.914848 0.449721
C -2.186176 -0.193661 -0.097446
C 2.086994 2.307450 0.333481
C -2.238477 1.197157 0.019454
C -3.033631 -0.997849 0.671010
C 1.103762 2.792625 1.409853
C 3.532261 2.414472 0.848196
C 1.907864 3.105686 -0.968095
C -3.125127 1.788073 0.926935
C -3.920064 -0.410074 1.577454
C -3.962592 0.983476 1.705733
H 1.679368 -0.972449 -2.273080
H 1.051117 -2.583797 -1.851559
H -0.110626 -2.841497 0.597967
H -0.222672 -1.378619 1.611723
H 3.418335 -1.116583 -0.529511
H 3.483042 -2.565397 -1.546128
H 1.640465 -2.858608 2.362070
H 2.261165 -1.287524 1.826426
H 2.253207 -3.894338 0.165812
H 3.668498 -3.131828 0.904023
H -1.591059 1.826250 -0.600774
H -3.012277 -2.087648 0.553045
H 1.196421 2.209575 2.332822
H 1.281697 3.842611 1.663071
H 0.062095 2.704332 1.077559
H 4.249375 2.035762 0.108445
H 3.680427 1.829520 1.762947
H 3.795518 3.453822 1.067010
H 0.888771 3.014604 -1.364611
H 2.109370 4.169855 -0.809507
H 2.588544 2.755601 -1.754751
H -3.166828 2.871553 1.019946
H -4.580855 -1.034115 2.176434
H -4.655107 1.442514 2.411964


%chk=000299437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299437

0 1
S -0.977819 -0.487764 -1.241752
O -1.404680 -1.911258 -1.940550
O -0.713862 0.852895 -2.146352
N 1.100078 0.428413 0.334322
N 2.056418 1.014164 -0.314097
C 0.806023 -0.923269 -0.147717
C 1.700009 -1.585480 -1.188757
C 0.353298 -1.836748 0.983144
C 2.934399 -2.217714 -0.482935
C 1.600749 -2.456755 1.678611
C 2.512969 -3.174159 0.656695
C -2.340838 -0.077284 0.009453
C 2.287315 2.458960 0.060799
C -2.458130 1.248871 0.456287
C -3.208457 -1.112444 0.393981
C 1.460320 2.960406 1.261841
C 3.808862 2.570562 0.335106
C 1.917590 3.229070 -1.241132
C -3.504303 1.546215 1.360448
C -4.249034 -0.795605 1.298602
C -4.390796 0.526581 1.782650
H 2.029183 -0.840947 -1.933456
H 1.116743 -2.372178 -1.705442
H -0.268395 -2.652799 0.565113
H -0.250155 -1.268164 1.713089
H 3.571856 -1.407730 -0.078243
H 3.535280 -2.757858 -1.238321
H 1.260692 -3.158952 2.462952
H 2.170500 -1.652773 2.185899
H 1.971239 -4.041790 0.227393
H 3.409953 -3.574564 1.166680
H -1.773397 2.019804 0.090384
H -3.087755 -2.115995 -0.027383
H 1.664496 2.361462 2.166803
H 1.719776 4.014551 1.468135
H 0.377935 2.895379 1.059285
H 4.383999 2.125257 -0.495212
H 4.083062 2.048448 1.269743
H 4.094871 3.633045 0.432768
H 0.858927 3.061895 -1.505366
H 2.092600 4.309587 -1.088475
H 2.536122 2.883371 -2.087038
H -3.628647 2.570162 1.728276
H -4.948063 -1.576402 1.616249
H -5.200234 0.765637 2.481120


