%chk=000191626.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191626

0 1
S -2.064897 -1.984885 0.865126
P -3.760987 -0.909363 0.254671
O -0.627645 0.703324 -1.098252
O -3.273840 0.551066 0.909578
O -3.551997 -0.691416 -1.358457
O -0.109004 3.399743 -1.185065
O -5.083774 -1.381744 0.637015
O 1.638592 -2.226694 -1.344186
N 1.294517 -0.319605 -0.098360
N 3.551270 -1.208389 -0.504074
N 5.406125 -0.143473 0.410328
C -1.872361 0.782535 0.960988
C -1.011640 -0.502583 0.934873
C -1.451519 1.586867 -0.295064
C -0.159747 -0.440456 -0.350165
C -0.652988 2.859930 0.014229
C 1.839720 0.730367 0.624050
C 2.197567 -1.357514 -0.721723
C 3.189977 0.829955 0.818015
C 4.043786 -0.179703 0.230287
H -1.757963 1.358539 1.910634
H -0.385710 -0.593514 1.854625
H -2.313647 1.825243 -0.966059
H -0.307451 -1.303549 -1.068487
H 0.175540 2.673493 0.731765
H -1.302224 3.672570 0.399528
H 1.151543 1.492454 1.032637
H -2.665047 -0.400794 -1.708905
H 0.318116 2.679134 -1.717027
H 3.617087 1.646810 1.389316
H 5.995915 -0.835915 -0.034232
H 5.855286 0.625164 0.873688


%chk=000191626-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191626

0 1
S -2.148547 -1.945888 1.400796
P -3.814396 -0.883030 0.152505
O -0.818886 0.422377 -1.099283
O -3.388630 0.676767 0.878937
O -3.266443 -0.807413 -1.465406
O 0.053037 3.124575 -1.521229
O -5.325301 -1.297188 0.301077
O 1.534818 -1.694058 -1.837238
N 1.241755 -0.309542 0.052705
N 3.465666 -0.781370 -0.864957
N 5.354141 0.121553 0.127544
C -1.945026 0.924721 0.975715
C -1.074840 -0.397079 1.162873
C -1.435633 1.561866 -0.341022
C -0.199913 -0.529070 -0.114084
C -0.443082 2.728733 -0.209738
C 1.818707 0.436787 1.064842
C 2.104558 -0.989060 -0.966078
C 3.182772 0.605304 1.149703
C 3.990556 -0.026962 0.121730
H -1.843542 1.589820 1.848232
H -0.488806 -0.339927 2.091395
H -2.285528 1.892630 -0.960382
H -0.290419 -1.507802 -0.609900
H 0.394087 2.487845 0.477359
H -0.974533 3.610217 0.188682
H 1.159911 0.882905 1.815085
H -2.320207 -0.452463 -1.596363
H 0.344997 2.305283 -2.001692
H 3.620432 1.189618 1.961074
H 5.885278 -0.342715 -0.608840
H 5.835617 0.680163 0.827254


