%chk=000296840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296840

0 1
S -2.752271 -1.693997 0.539219
O 4.774438 0.367767 0.572508
O 0.310345 -1.102739 -1.586252
O 4.075768 1.853536 -0.938818
O -2.907961 -1.894962 1.960393
O -3.738635 -2.182773 -0.397054
N -0.120046 -1.995095 0.473912
N -1.318779 -2.595360 0.039487
C 2.099191 -1.002395 0.054458
C 2.412505 0.500183 0.251744
C 2.267783 -0.427957 1.449517
C 3.127990 -1.943156 -0.512554
C 1.354157 1.530434 -0.039238
C 0.722946 -1.356641 -0.470208
C 3.772704 1.003259 -0.138559
C -2.423307 -0.029613 0.246340
C -2.213873 0.441484 -1.055912
C -2.412715 0.870548 1.318860
C -1.997883 1.799773 -1.285155
C -2.194784 2.229730 1.097370
C -1.991604 2.706333 -0.209975
C -1.772510 4.158802 -0.464603
H 1.410563 -0.306540 2.111118
H 3.159293 -0.693566 2.024948
H 4.144885 -1.700190 -0.161845
H 2.933330 -2.983690 -0.221189
H 3.145313 -1.901006 -1.612933
H 0.361321 1.233369 0.328670
H 1.594519 2.499817 0.418242
H 1.256126 1.695142 -1.125863
H 0.291027 -2.514319 1.264627
H 5.678596 0.711085 0.336371
H -1.287778 -2.890369 -0.959363
H -2.207864 -0.252831 -1.903845
H -2.580190 0.505226 2.340404
H -1.835524 2.157192 -2.301290
H -2.193816 2.922176 1.937074
H -1.626240 4.741722 0.454722
H -0.892352 4.335151 -1.101293
H -2.635770 4.600472 -0.988237


%chk=000296840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296840

0 1
S -2.824979 -1.691143 0.560667
O 4.951821 0.304778 0.462438
O 0.456435 -1.313426 -1.608897
O 3.990187 2.034117 -0.741459
O -3.046483 -1.809516 2.168849
O -3.899470 -2.267904 -0.521912
N 0.087639 -2.229183 0.487564
N -1.110158 -2.842813 0.150293
C 2.264423 -1.140338 0.062366
C 2.518232 0.392822 0.315290
C 2.456936 -0.618467 1.486733
C 3.317793 -2.038341 -0.595761
C 1.360469 1.367012 0.112233
C 0.877222 -1.503232 -0.431229
C 3.839008 0.994435 -0.060466
C -2.516453 0.147977 0.208164
C -2.438594 0.579447 -1.127347
C -2.445476 1.019369 1.306888
C -2.269359 1.959946 -1.361765
C -2.280867 2.398390 1.043298
C -2.183710 2.886416 -0.285963
C -1.984891 4.364803 -0.561171
H 1.595544 -0.507405 2.155555
H 3.398059 -0.869051 1.981882
H 4.329979 -1.774537 -0.254079
H 3.127318 -3.096473 -0.337319
H 3.269624 -1.940210 -1.694472
H 0.410690 0.938042 0.472274
H 1.547222 2.303982 0.665494
H 1.241451 1.617080 -0.954852
H 0.423119 -2.421786 1.433952
H 5.778613 0.775711 0.170386
H -1.174131 -2.812630 -0.898727
H -2.513822 -0.129796 -1.957210
H -2.547105 0.630130 2.325349
H -2.204099 2.322497 -2.394002
H -2.232546 3.101653 1.882437
H -2.134739 4.972300 0.347106
H -0.960991 4.563379 -0.931816
H -2.685015 4.727969 -1.334971


