%chk=000287591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287591

0 1
S 0.533595 -0.714475 -1.188413
O 0.035768 0.197508 -2.199988
O 0.463061 -2.142970 -1.429447
O -4.932597 -1.929389 -0.494132
O -3.973046 -2.500800 1.473437
N -0.376151 -0.470374 0.266149
C -1.441887 -1.450368 0.584745
C 2.124993 -0.258812 -0.730908
C -0.525733 0.845109 0.831592
C -2.749856 -1.159641 -0.176115
C 2.976875 -1.198603 -0.138802
C 2.579966 1.046406 -0.959339
C -0.494697 0.980138 2.233638
C -0.665308 1.981695 0.015737
C 4.729982 0.471650 0.008032
C 4.272881 -0.838494 0.230667
C 3.873171 1.412868 -0.592780
C -3.889139 -1.938436 0.406845
C -0.589856 2.249212 2.804934
C -0.751183 3.244482 0.605735
C -0.713836 3.384403 1.996068
C 6.112735 0.871989 0.397529
C -6.144964 -2.623704 -0.097610
H -1.637453 -1.447197 1.683935
H -1.071688 -2.475092 0.330650
H -2.642540 -1.383865 -1.262339
H -2.994390 -0.072562 -0.143521
H 2.629982 -2.224924 0.028932
H 1.919415 1.781977 -1.433570
H -0.389452 0.099501 2.864946
H -0.724926 1.887126 -1.075005
H 4.929057 -1.575624 0.689891
H 4.221598 2.428421 -0.771934
H -0.565338 2.355184 3.889259
H -0.857559 4.125534 -0.027156
H -0.785608 4.370733 2.448364
H 6.673248 0.065025 0.888794
H 6.700710 1.181522 -0.480441
H 6.103528 1.725074 1.093088
H -5.911114 -3.660264 0.166147
H -6.762167 -2.559535 -0.999930
H -6.600079 -2.101527 0.749217


%chk=000287591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287591

0 1
S 0.479074 -0.805204 -1.102008
O -0.054726 0.193793 -2.285101
O 0.436699 -2.417220 -1.331272
O -4.967002 -1.937890 -0.748161
O -4.238999 -2.396759 1.415846
N -0.405408 -0.570672 0.576666
C -1.588594 -1.465179 0.681668
C 2.222745 -0.275615 -0.646805
C -0.517585 0.805033 1.010534
C -2.852877 -1.006732 -0.088309
C 3.035061 -1.191391 0.038555
C 2.654568 0.998585 -1.047312
C -0.076760 1.086620 2.330059
C -1.038161 1.852509 0.201307
C 4.840312 0.490294 -0.020907
C 4.354552 -0.791901 0.348288
C 3.975764 1.373231 -0.722551
C -4.052738 -1.849793 0.302849
C -0.180348 2.395022 2.848441
C -1.111796 3.164831 0.720389
C -0.694493 3.439027 2.043168
C 6.259906 0.911672 0.312429
C -6.201028 -2.712371 -0.462883
H -1.822779 -1.547671 1.759302
H -1.268953 -2.463951 0.335224
H -2.707680 -1.052184 -1.181025
H -3.087117 0.045440 0.168303
H 2.656309 -2.183259 0.304075
H 1.984075 1.658981 -1.606211
H 0.342380 0.270526 2.927519
H -1.348622 1.642576 -0.827104
H 5.013954 -1.486458 0.880634
H 4.340924 2.362845 -1.020849
H 0.151749 2.601680 3.871833
H -1.503157 3.971771 0.090855
H -0.764358 4.456965 2.442231
H 6.791784 0.134222 0.886014
H 6.842183 1.110549 -0.606697
H 6.270813 1.841645 0.910517
H -5.945214 -3.753914 -0.206269
H -6.782510 -2.663259 -1.393813
H -6.751951 -2.257491 0.377475


