%chk=000198305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198305

0 1
S 2.727413 -0.533281 -1.821962
P 3.019427 -0.238512 0.030702
O 4.579746 -0.113091 0.519891
O 2.546223 -1.239262 1.220878
O 2.643902 1.380372 0.547410
O -2.704087 1.524217 0.010602
N 0.659663 0.368396 0.159447
N -0.639521 0.327865 0.021525
C -3.730709 -0.564470 0.764783
C -3.371362 0.302176 -0.282459
C 5.455529 0.744417 -0.285778
C 1.764665 -2.423147 0.844842
C -4.527508 -1.669479 0.426774
C -3.746919 0.104774 -1.612173
C 1.303585 1.548354 0.439301
C -3.274038 -0.324302 2.161287
C -1.343500 1.494496 0.152723
C -4.927975 -1.884694 -0.895659
C -4.541595 -1.004623 -1.912841
C 0.635658 2.786218 0.595181
C -0.737523 2.753825 0.444000
C 6.785862 0.630697 0.434182
C 2.685776 -3.520129 0.351918
H 5.506277 0.352296 -1.320540
H 5.060513 1.777859 -0.272704
H 1.312795 -2.660975 1.830498
H 0.961782 -2.166521 0.124948
H -4.832736 -2.368535 1.204241
H -3.424111 0.802001 -2.383031
H -3.926197 -0.796743 2.906717
H -3.231498 0.749892 2.396203
H -2.258376 -0.727949 2.307963
H -5.544797 -2.749968 -1.136369
H -4.853452 -1.184808 -2.940365
H 1.191535 3.695591 0.818938
H -1.361213 3.643519 0.536210
H 7.557717 1.239502 -0.048489
H 6.696185 0.952087 1.481744
H 7.133946 -0.411532 0.459207
H 2.222401 -4.507301 0.471631
H 2.940723 -3.415601 -0.712950
H 3.631194 -3.532830 0.913774


%chk=000198305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198305

0 1
S 3.253054 -0.829600 -2.020132
P 3.389845 -0.380318 -0.013740
O 4.924065 0.033681 0.629231
O 2.993749 -1.517662 1.196711
O 2.605289 1.189474 0.457739
O -2.824240 1.549292 -0.057741
N 0.520323 0.175132 0.135801
N -0.847213 0.236449 0.009289
C -3.915771 -0.524732 0.751646
C -3.615492 0.367991 -0.305852
C 5.761212 1.021409 -0.118762
C 1.995201 -2.604097 0.902168
C -4.801018 -1.590370 0.450004
C -4.164179 0.240190 -1.594477
C 1.235848 1.314333 0.323230
C -3.317261 -0.354773 2.131491
C -1.445432 1.454473 0.079021
C -5.357193 -1.751522 -0.839375
C -5.041242 -0.833107 -1.865933
C 0.646320 2.607859 0.406615
C -0.741249 2.678155 0.281969
C 7.132233 0.992425 0.548473
C 2.702218 -3.852962 0.378651
H 5.808491 0.719064 -1.182863
H 5.282864 2.015258 -0.040363
H 1.530838 -2.770370 1.888360
H 1.233222 -2.209667 0.207436
H -5.056789 -2.301021 1.244841
H -3.901868 0.973276 -2.363388
H -3.838854 -0.985955 2.870282
H -3.371859 0.695594 2.470450
H -2.249182 -0.642943 2.124972
H -6.038062 -2.586050 -1.038994
H -5.471152 -0.947240 -2.866538
H 1.270332 3.490576 0.560514
H -1.289752 3.621579 0.329384
H 7.803793 1.716959 0.051679
H 7.052268 1.262718 1.614796
H 7.580897 -0.012278 0.474182
H 1.966478 -4.673039 0.274869
H 3.153548 -3.666402 -0.610614
H 3.491119 -4.180979 1.077169


