%chk=000200992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200992

0 1
S 3.915671 0.679477 -0.010629
P -2.955395 -0.426778 -0.775668
O -1.939681 0.372425 0.319931
O -2.753337 -1.982384 -0.316142
O 4.296103 1.317120 -1.254966
O 4.371685 1.192988 1.267479
O -2.631064 -0.238284 -2.199680
N 4.471675 -0.953160 -0.107858
N -4.507312 0.103951 -0.203586
C 2.186313 0.572211 0.044985
C -0.580050 0.400655 0.139495
C 1.446366 0.513832 -1.140920
C 1.530309 0.578994 1.282601
C 0.055618 0.418622 -1.110907
C 0.143807 0.484637 1.346329
C -5.270607 0.832463 -1.256509
C -4.494895 0.827905 1.097451
C 4.231734 -1.778725 1.097102
C 4.189998 -1.647962 -1.384280
C -3.356154 -2.491619 0.901110
C -2.646630 -1.971833 2.137218
H 1.958400 0.555352 -2.110371
H 2.111802 0.666835 2.208971
H -0.512213 0.373067 -2.049556
H -0.387963 0.493591 2.293643
H -5.211974 0.303804 -2.228657
H -4.953785 1.876823 -1.421632
H -6.337590 0.848066 -0.967196
H -4.105735 1.859989 1.047863
H -3.889105 0.275564 1.848723
H -5.529121 0.876997 1.483845
H 4.574523 -1.223611 1.992650
H 4.844600 -2.696361 1.044684
H 3.181909 -2.080398 1.238161
H 4.817310 -2.554378 -1.457708
H 4.485239 -0.994233 -2.229104
H 3.139364 -1.952711 -1.513429
H -4.443009 -2.283725 0.905534
H -3.192135 -3.581790 0.757646
H -2.894524 -2.573107 3.020161
H -1.553886 -2.004956 2.013103
H -2.909161 -0.924154 2.365814


%chk=000200992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200992

0 1
S 4.115925 0.615005 -0.184494
P -3.089574 -0.060426 -0.867207
O -1.938989 0.683422 0.254342
O -2.836331 -1.751269 -0.568502
O 4.514920 1.008466 -1.710556
O 4.660837 1.410711 1.125605
O -2.913587 0.236392 -2.415158
N 4.736036 -1.168302 0.036799
N -4.547439 0.500236 -0.155017
C 2.226583 0.614288 -0.078451
C -0.539587 0.624487 0.083938
C 1.484160 0.414279 -1.255449
C 1.632190 0.844021 1.175552
C 0.075697 0.420898 -1.177056
C 0.225266 0.844846 1.254797
C -5.670411 0.861080 -1.046746
C -4.702903 0.858458 1.266893
C 4.406718 -1.672909 1.388636
C 4.296002 -2.020697 -1.090899
C -3.389272 -2.435522 0.633231
C -2.418463 -2.385008 1.816782
H 1.992725 0.294536 -2.217498
H 2.254276 1.044804 2.053734
H -0.534351 0.290002 -2.076970
H -0.288055 1.028351 2.202890
H -5.412129 0.628444 -2.092952
H -5.882753 1.946098 -0.977977
H -6.581217 0.298781 -0.765776
H -4.840553 1.952341 1.377494
H -3.811063 0.573378 1.844808
H -5.587955 0.346347 1.692744
H 4.667893 -0.899701 2.130173
H 5.047854 -2.553622 1.575260
H 3.342325 -1.976788 1.513902
H 4.938951 -2.919697 -1.093997
H 4.468417 -1.477591 -2.034987
H 3.232538 -2.345148 -1.027547
H -4.375775 -1.998924 0.885378
H -3.541958 -3.470572 0.284302
H -2.817412 -2.987200 2.654702
H -1.437792 -2.799897 1.528380
H -2.264647 -1.351197 2.172600


