%chk=000270116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270116

0 1
S 3.340231 -0.982848 -0.789354
O 3.389055 -1.658215 0.496144
O 3.816380 -1.652113 -1.987181
O -4.286746 1.671293 -1.436696
O -3.143413 0.968687 0.425706
N 4.277333 0.454185 -0.699744
N -2.175039 1.003882 -1.728344
C 4.626498 1.018163 0.635114
C 5.664708 0.169264 1.401701
C 5.129431 2.468192 0.450261
C 7.062335 0.242336 0.780389
C 6.538698 2.539563 -0.151079
C 7.539157 1.695167 0.649238
C 1.735402 -0.409041 -1.044833
C 1.319389 -0.042872 -2.330162
C 0.842631 -0.318842 0.030013
C -7.583269 0.772274 0.216373
C -8.278814 -0.568444 0.487452
C 0.025947 0.423760 -2.549949
C -0.455536 0.146499 -0.162711
C -6.188786 0.560404 -0.383828
C -0.864545 0.520686 -1.456366
C -9.677176 -0.363531 1.087021
C -5.498199 1.894159 -0.638237
C -10.373130 -1.695008 1.359039
C -3.185435 1.179759 -0.763893
H 3.679501 1.046507 1.239565
H 5.322436 -0.887331 1.459753
H 5.703941 0.518758 2.451160
H 5.120000 2.970545 1.436638
H 4.419992 3.028675 -0.188991
H 7.775518 -0.334601 1.399747
H 7.063754 -0.248601 -0.211552
H 6.517521 2.198929 -1.204126
H 6.875803 3.593026 -0.182688
H 8.531853 1.724623 0.162979
H 7.678318 2.134311 1.655792
H 5.066504 0.522702 -1.358916
H 2.011252 -0.130929 -3.176523
H 1.161908 -0.626310 1.034592
H -8.203257 1.384292 -0.467464
H -7.505276 1.349652 1.158970
H -7.663309 -1.181956 1.174167
H -8.354697 -1.153267 -0.449527
H -5.566681 -0.058171 0.298208
H -6.256775 -0.015105 -1.328764
H -0.285086 0.703682 -3.553328
H -1.148051 0.215176 0.683919
H -10.296212 0.247949 0.401664
H -9.602727 0.217165 2.027521
H -5.219345 2.420540 0.291113
H -6.059884 2.561317 -1.318061
H -2.406656 1.244617 -2.699321
H -11.369879 -1.540574 1.787615
H -10.498394 -2.281432 0.441648
H -9.805274 -2.311150 2.065837


%chk=000270116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270116

0 1
S 3.493232 -1.225403 -0.609542
O 3.539514 -1.880238 0.889177
O 3.917749 -2.081474 -1.930213
O -4.244821 1.678755 -1.172823
O -3.167563 0.789328 0.728489
N 4.529118 0.328140 -0.747960
N -2.119176 0.969255 -1.394186
C 4.830791 1.009721 0.553646
C 5.967928 0.339974 1.374234
C 5.179779 2.487908 0.224662
C 7.344063 0.476205 0.678226
C 6.556378 2.621416 -0.470278
C 7.677687 1.955182 0.364435
C 1.763703 -0.532847 -0.828907
C 1.380492 -0.078497 -2.102575
C 0.900583 -0.525557 0.277306
C -7.704265 0.760669 0.303350
C -8.584046 -0.509365 0.261861
C 0.075037 0.417975 -2.260535
C -0.408464 -0.026688 0.117177
C -6.355377 0.571373 -0.430822
C -0.823967 0.452592 -1.155645
C -9.936725 -0.337617 0.990190
C -5.501607 1.844163 -0.383724
C -10.807911 -1.611419 0.942984
C -3.165175 1.103916 -0.486559
H 3.892747 0.987449 1.141328
H 5.711318 -0.718586 1.560719
H 6.013552 0.841529 2.362346
H 5.196409 3.049820 1.180811
H 4.379222 2.917136 -0.404240
H 8.127845 0.031261 1.320001
H 7.357263 -0.112620 -0.264428
H 6.511824 2.154564 -1.475669
H 6.786449 3.691343 -0.634416
H 8.645186 2.025697 -0.168971
H 7.795821 2.508668 1.319200
H 5.381848 -0.006920 -1.239306
H 2.076791 -0.121121 -2.945169
H 1.243934 -0.918794 1.239790
H -8.261872 1.606235 -0.151200
H -7.515624 1.039414 1.360748
H -8.028230 -1.354914 0.717344
H -8.771561 -0.792735 -0.794869
H -5.793350 -0.259991 0.035554
H -6.540768 0.296153 -1.487322
H -0.250877 0.778982 -3.243317
H -1.106325 -0.006304 0.956178
H -10.491275 0.508626 0.535374
H -9.748772 -0.055207 2.046174
H -5.232219 2.106854 0.655248
H -6.005278 2.694713 -0.872165
H -2.334969 1.289041 -2.341221
H -11.766987 -1.466067 1.473116
H -11.038524 -1.895879 -0.101101
H -10.286632 -2.465419 1.415196


