%chk=000217564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217564

0 1
S -6.197917 -0.226819 -1.593795
O 1.516049 0.718561 -0.057448
N -4.512696 -0.300790 0.496169
C -3.332276 0.558827 0.152468
C -5.699470 0.499397 0.932126
C -2.053387 -0.283433 0.302189
C -4.935669 -1.170202 -0.613068
C -6.516546 0.986407 -0.270691
C -0.809270 0.571590 0.051185
C 0.463668 -0.257702 0.212943
C 2.825213 0.293097 0.005740
C 3.246990 -1.003789 0.312616
C 3.746718 1.324363 -0.278069
C 5.555487 -0.267313 0.057628
C 4.621822 -1.271354 0.335119
C 5.103625 1.033252 -0.249151
C 7.022389 -0.553352 0.081558
H -3.395832 0.994656 -0.868323
H -3.295087 1.416694 0.858826
H -5.379595 1.343883 1.576165
H -6.317770 -0.167981 1.577069
H -2.077414 -1.141724 -0.397015
H -2.023276 -0.727332 1.318509
H -4.107513 -1.475986 -1.277964
H -5.417796 -2.081987 -0.203247
H -7.597503 1.024692 -0.055383
H -6.208788 1.988826 -0.613229
H -0.774699 1.435896 0.745919
H -0.832175 1.017227 -0.964641
H 0.595299 -0.644835 1.237121
H 0.540782 -1.073470 -0.524905
H 2.542455 -1.797731 0.531207
H 3.378161 2.319945 -0.512431
H 4.959611 -2.279181 0.573255
H 5.828118 1.817599 -0.465842
H 7.538388 0.074220 0.821802
H 7.245868 -1.597467 0.334261
H 7.482839 -0.353485 -0.896274


%chk=000217564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217564

0 1
S -6.069616 -0.172780 -1.813604
O 1.529088 0.864892 -0.049405
N -4.594415 -0.370274 0.532271
C -3.407341 0.497374 0.276021
C -5.824609 0.373274 0.897392
C -2.077674 -0.270576 0.412858
C -4.948459 -1.247965 -0.557122
C -6.433379 1.027912 -0.390545
C -0.864947 0.641436 0.120145
C 0.464226 -0.104264 0.258004
C 2.859852 0.411167 -0.007856
C 3.252029 -0.908209 0.321343
C 3.844426 1.379921 -0.326666
C 5.627539 -0.293425 0.010251
C 4.627901 -1.242690 0.326238
C 5.205334 1.025631 -0.315923
C 7.102371 -0.659211 0.014519
H -3.466385 0.967357 -0.733742
H -3.426704 1.313358 1.022618
H -5.597820 1.128230 1.669417
H -6.554372 -0.344329 1.315254
H -2.067858 -1.133121 -0.284043
H -2.014578 -0.689395 1.435946
H -4.078654 -1.616830 -1.116784
H -5.594873 -2.072710 -0.224425
H -7.523111 1.159333 -0.300096
H -5.958207 1.995931 -0.618818
H -0.859630 1.505271 0.812849
H -0.935241 1.053139 -0.905050
H 0.597637 -0.494524 1.289239
H 0.517386 -0.957161 -0.451747
H 2.512772 -1.674781 0.572044
H 3.519843 2.394380 -0.578639
H 4.922035 -2.267874 0.582473
H 5.956611 1.785309 -0.565490
H 7.672367 -0.036543 0.730077
H 7.255664 -1.715708 0.295333
H 7.559593 -0.508346 -0.981940


