%chk=000247209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247209

0 1
S -0.993006 -0.613899 -0.628804
O -1.150436 -1.057486 -2.003594
O -1.616102 -1.386093 0.436034
O 4.668413 -0.092395 0.788708
N -1.565733 1.022660 -0.592957
C -2.717288 1.297738 -1.499967
C -1.785871 1.590330 0.767723
C -4.067608 0.845017 -0.917685
C -3.105444 1.121163 1.404422
C -4.292348 1.430870 0.483124
C 0.677750 -0.426776 -0.251377
C 1.536282 0.210536 -1.151204
C 1.178127 -0.940316 0.957789
C 2.894051 0.357904 -0.860226
C 2.521242 -0.809292 1.276385
C 3.372609 -0.155782 0.354923
C 5.652295 0.538138 -0.070991
H -2.530036 0.801991 -2.482120
H -2.733770 2.393584 -1.695293
H -1.783216 2.700438 0.669705
H -0.923010 1.333093 1.418372
H -4.109951 -0.262394 -0.870575
H -4.886349 1.146913 -1.595999
H -3.244337 1.600135 2.389040
H -3.056665 0.024815 1.597991
H -4.443266 2.524965 0.414791
H -5.222176 1.017491 0.917617
H 1.147897 0.599670 -2.099347
H 0.498608 -1.453129 1.652305
H 3.550116 0.853965 -1.566681
H 2.933730 -1.198756 2.204562
H 5.403305 1.592233 -0.222360
H 5.733756 -0.005668 -1.016629
H 6.568929 0.430836 0.524922


%chk=000247209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247209

0 1
S -1.042218 -0.695811 -0.708778
O -1.168513 -1.114402 -2.281160
O -1.691306 -1.659854 0.453029
O 4.769184 -0.086338 0.844252
N -1.628251 1.123169 -0.657004
C -2.833671 1.298912 -1.526434
C -1.813749 1.590852 0.753284
C -4.168528 0.860361 -0.880519
C -3.142831 1.165221 1.422374
C -4.347000 1.506167 0.513086
C 0.759369 -0.457285 -0.252447
C 1.606730 0.195583 -1.159870
C 1.207607 -0.991493 0.970850
C 2.970441 0.341468 -0.824826
C 2.565819 -0.846204 1.302448
C 3.445470 -0.176654 0.410020
C 5.739289 0.578201 -0.034389
H -2.638984 0.756312 -2.468616
H -2.854580 2.383478 -1.760400
H -1.758538 2.697329 0.686743
H -0.939555 1.260905 1.344687
H -4.182435 -0.242966 -0.786484
H -5.001378 1.141227 -1.553404
H -3.230626 1.680351 2.398607
H -3.116244 0.077036 1.616739
H -4.429581 2.608211 0.400662
H -5.287807 1.159442 0.979217
H 1.216637 0.577955 -2.107878
H 0.506152 -1.518230 1.626136
H 3.641948 0.848805 -1.522624
H 2.969902 -1.242489 2.238110
H 5.461966 1.635193 -0.210232
H 5.831867 0.047873 -1.001270
H 6.693914 0.530177 0.508694


