%chk=000296253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296253

0 1
S -0.606261 -0.129376 -0.322178
O -0.976103 0.247461 -1.668588
O -1.184269 -1.297259 0.309575
O 5.821052 -1.519344 0.710912
O 6.038177 0.155046 -0.643518
N -0.900289 1.213746 0.710061
N 5.372196 -0.636351 0.000980
C -3.976911 0.792835 0.084149
C -3.308554 2.020207 0.714613
C -5.473420 0.737280 0.419310
C -1.866538 2.239291 0.231317
C -6.132854 -0.510918 -0.184634
C 1.134608 -0.274708 -0.231710
C -7.623125 -0.576347 0.141134
C 1.697678 -1.278870 0.559357
C 1.940624 0.604095 -0.957566
C 3.087811 -1.405279 0.640234
C 3.333541 0.491319 -0.886777
C 3.888430 -0.512600 -0.083846
H -3.484328 -0.137626 0.435500
H -3.838250 0.806177 -1.016230
H -3.337465 1.937916 1.818422
H -3.899254 2.928353 0.474301
H -5.617119 0.741255 1.516730
H -5.981136 1.646452 0.044301
H -1.837045 2.295094 -0.884076
H -1.497630 3.225684 0.601308
H -5.988484 -0.519129 -1.283066
H -5.626565 -1.422724 0.190387
H -1.059442 0.995809 1.704686
H -7.799407 -0.611342 1.222077
H -8.161661 0.293226 -0.251896
H -8.082997 -1.470766 -0.294473
H 1.053762 -1.977612 1.110903
H 1.492468 1.378454 -1.591056
H 3.549912 -2.186252 1.254565
H 3.984647 1.171204 -1.447713


%chk=000296253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296253

0 1
S -0.631724 -0.116631 -0.318440
O -0.990641 0.413434 -1.816546
O -1.245956 -1.494770 0.308294
O 5.941470 -1.570582 0.777160
O 6.171588 0.077185 -0.783935
N -0.922400 1.330624 0.853426
N 5.458501 -0.689792 -0.031427
C -4.026991 0.862996 0.064428
C -3.376870 2.103017 0.720143
C -5.524838 0.724561 0.421037
C -1.897939 2.338820 0.341470
C -6.187672 -0.514071 -0.224055
C 1.248914 -0.277942 -0.220224
C -7.682194 -0.651817 0.138198
C 1.777431 -1.246888 0.647935
C 2.029657 0.552423 -1.041352
C 3.179657 -1.384490 0.710793
C 3.430846 0.413562 -0.979605
C 3.976674 -0.546969 -0.099200
H -3.498981 -0.062271 0.374734
H -3.911148 0.929047 -1.036090
H -3.468829 2.036586 1.825407
H -3.943789 3.008342 0.419920
H -5.639075 0.666014 1.524312
H -6.067884 1.638648 0.100240
H -1.780211 2.375084 -0.759512
H -1.543665 3.309503 0.740637
H -6.075245 -0.454031 -1.325511
H -5.641297 -1.425129 0.092989
H -1.234743 0.878418 1.736267
H -7.818071 -0.747168 1.232282
H -8.255302 0.234433 -0.194513
H -8.132912 -1.542755 -0.336296
H 1.109148 -1.886962 1.232324
H 1.554865 1.267015 -1.720251
H 3.657550 -2.118681 1.363974
H 4.097874 1.025641 -1.591519


