%chk=000291849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291849

0 1
S -0.588401 3.336745 0.414383
O -0.208819 3.559793 2.041634
O 0.017969 4.466594 -0.234922
O -2.033719 3.171458 0.384342
O 2.850325 -4.186601 1.409418
O 4.228956 2.035951 -0.440616
O 4.460709 -0.101729 -0.606664
N 2.397558 -1.689318 -0.501254
N -1.852389 0.552446 0.144543
N 3.766347 0.907253 -0.459002
C -0.480701 0.600720 0.033710
C 0.194107 1.874646 0.094901
C 1.673387 -0.544132 -0.308672
C 0.276734 -0.573082 -0.135834
C 2.339905 0.746497 -0.292177
C 1.572370 1.903189 -0.086747
C 1.809711 -3.045368 -0.476769
C -2.634166 -0.658359 0.026618
C 1.639878 -3.576862 0.959176
C -3.481179 -1.007757 1.091604
C -2.592064 -1.427793 -1.147453
C -4.287502 -2.141919 0.972375
C -3.404273 -2.559835 -1.245815
C -4.249034 -2.919117 -0.190347
H -0.233726 -1.534442 -0.123554
H 2.108134 2.874349 -0.073319
H 3.427407 -1.638596 -0.619643
H -2.418557 1.425810 0.318872
H 2.489541 -3.730160 -1.041302
H 0.832279 -3.060931 -1.012224
H 0.916616 -4.416573 0.989863
H 1.322352 -2.790533 1.667376
H -3.511396 -0.402301 1.997406
H -1.945544 -1.136779 -1.975008
H -4.950301 -2.420778 1.792354
H -3.383936 -3.160869 -2.155262
H -0.244048 4.469725 2.372238
H -4.881733 -3.801660 -0.275677
H 3.533800 -3.507584 1.591546


%chk=000291849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291849

0 1
S -0.599005 3.374624 0.485572
O -0.209867 3.386112 2.304790
O 0.126907 4.648212 -0.188330
O -2.215288 3.191686 0.332293
O 3.013364 -3.894673 1.544255
O 4.303607 2.135041 -0.545584
O 4.592268 -0.118052 -0.737577
N 2.515750 -1.715717 -0.531640
N -1.815895 0.457898 0.205257
N 3.822932 0.936357 -0.551912
C -0.445690 0.516323 0.041903
C 0.252857 1.785783 0.076939
C 1.771256 -0.576559 -0.342955
C 0.363011 -0.630882 -0.154925
C 2.401656 0.736107 -0.346643
C 1.627295 1.888237 -0.110222
C 1.979718 -3.082676 -0.572335
C -2.666057 -0.686622 0.085190
C 1.750534 -3.690414 0.831767
C -3.728326 -0.822086 1.016207
C -2.536511 -1.624940 -0.972621
C -4.639381 -1.893148 0.900180
C -3.445459 -2.700147 -1.072578
C -4.497093 -2.843272 -0.137633
H -0.128644 -1.603315 -0.133633
H 2.132876 2.859730 -0.091493
H 3.521693 -1.537863 -0.695939
H -2.286983 1.364383 0.391479
H 2.722424 -3.708860 -1.096512
H 1.040901 -3.116483 -1.160256
H 1.315052 -4.697856 0.727228
H 1.052832 -3.062985 1.423953
H -3.828484 -0.093096 1.827962
H -1.764692 -1.488384 -1.736618
H -5.455837 -1.988121 1.623951
H -3.344497 -3.414418 -1.897130
H -0.451372 4.292214 2.658456
H -5.202029 -3.676619 -0.223543
H 3.430771 -3.013422 1.722796


