%chk=000286388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286388

0 1
S 3.514004 0.744190 -1.635601
S -3.513894 0.744477 1.635565
O 4.446230 0.271710 -2.639820
O 2.803156 1.988198 -1.815287
O -4.446146 0.272005 2.639762
O -2.803160 1.988555 1.815228
N 2.376702 -0.548300 -1.552889
N -2.376519 -0.547973 1.552970
C 0.594181 -1.805783 -0.387116
C -0.594178 -1.805675 0.387214
C 1.178876 -0.539224 -0.785924
C -1.178689 -0.539019 0.785974
C 0.579525 0.645419 -0.406699
C -0.579131 0.645529 0.406712
C 1.178143 -3.058936 -0.753439
C -1.178340 -3.058716 0.753589
C 0.599972 -4.247560 -0.380748
C -0.600359 -4.247448 0.380947
C 4.264627 0.730730 -0.083399
C -4.264471 0.730904 0.083340
C 5.462418 0.029159 0.096987
C -5.462184 0.029206 -0.097061
C 3.689048 1.422319 0.987392
C -3.688935 1.422526 -0.987455
C 6.080014 0.011446 1.350043
C -6.079743 0.011393 -1.350133
C 4.305180 1.404120 2.242554
C -4.305032 1.404230 -2.242633
C 5.498773 0.697556 2.423004
C -5.498545 0.697534 -2.423097
H 0.964670 1.617619 -0.738570
H -0.964049 1.617818 0.738595
H 2.507214 -1.366117 -2.161811
H -2.507039 -1.365753 2.161937
H 2.101907 -3.064721 -1.332930
H -2.102106 -3.064325 1.333074
H 1.048125 -5.199797 -0.660493
H -1.048665 -5.199601 0.660732
H 5.922522 -0.499541 -0.745895
H -5.922255 -0.499523 0.745821
H 2.758944 1.985093 0.849144
H -2.758895 1.985404 -0.849199
H 7.012412 -0.533419 1.490694
H -7.012080 -0.533574 -1.490795
H 3.854284 1.940530 3.077074
H -3.854170 1.940665 -3.077155
H 5.979416 0.682636 3.402385
H -5.979160 0.682537 -3.402490


%chk=000286388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286388

0 1
S 3.737478 1.172459 -1.613172
S -3.739347 1.173509 1.612958
O 4.713093 0.594641 -2.783348
O 3.499029 2.758319 -1.360714
O -4.714221 0.592790 2.782297
O -3.503345 2.759913 1.362490
N 1.901548 0.413027 -2.103027
N -1.904390 0.416226 2.102113
C 0.513635 -0.960597 -0.507774
C -0.515133 -0.959789 0.510367
C 0.978958 0.310443 -1.052669
C -0.981575 0.312191 1.051988
C 0.465769 1.523891 -0.526885
C -0.469541 1.524780 0.523244
C 1.022189 -2.216906 -0.968577
C -1.022686 -2.215411 0.974223
C 0.522603 -3.427405 -0.480894
C -0.522072 -3.426668 0.489501
C 4.275403 0.420803 0.044620
C -4.274911 0.422673 -0.045934
C 5.006675 -0.778809 0.014740
C -5.002993 -0.778914 -0.017840
C 3.927176 1.103384 1.222307
C -3.928346 1.107877 -1.222576
C 5.410616 -1.327066 1.253789
C -5.405304 -1.326468 -1.257726
C 4.335910 0.532940 2.450563
C -4.335410 0.538114 -2.451699
C 5.069661 -0.676659 2.464215
C -5.065952 -0.673404 -2.467168
H 0.825719 2.464289 -0.955321
H -0.830079 2.465956 0.949500
H 2.184241 -0.483551 -2.540084
H -2.185912 -0.479269 2.541963
H 1.824230 -2.244902 -1.716053
H -1.824730 -2.242298 1.721736
H 0.929975 -4.376593 -0.844067
H -0.928639 -4.375317 0.854981
H 5.279160 -1.243006 -0.938906
H -5.274384 -1.245248 0.935075
H 3.384325 2.052574 1.177789
H -3.387957 2.058397 -1.176581
H 5.993883 -2.253528 1.271377
H -5.986060 -2.254474 -1.276727
H 4.084066 1.036485 3.389404
H -4.084747 1.043643 -3.389787
H 5.385141 -1.109161 3.419748
H -5.380154 -1.105379 -3.423359


