%chk=000203335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203335

0 1
S -2.558686 -3.129170 -0.363338
O -4.490647 1.583713 -0.673911
N -2.568072 -0.496546 -0.401946
C 4.102950 0.723525 -0.092881
C 2.729130 0.161543 0.282440
C -2.252215 0.891713 0.034549
C -3.561204 -0.521821 -1.514526
C 4.162564 1.006619 -1.607649
C 5.158648 -0.333714 0.286640
C 4.409540 2.038306 0.649878
C -1.112516 -1.545256 1.321253
C 0.217804 -0.945292 0.951996
C -3.554942 1.616125 0.418651
C -4.823371 0.240831 -1.086453
C -2.085670 -1.618050 0.176803
C 2.128469 -0.813879 -0.533665
C 2.059860 0.554723 1.449092
C 0.889685 -1.362999 -0.207005
C 0.815272 0.011432 1.782411
H -1.754281 1.422150 -0.812409
H -1.531607 0.909433 0.878873
H -3.823895 -1.568246 -1.811777
H -3.097163 -0.046119 -2.408795
H 5.115519 1.467706 -1.887482
H 4.063727 0.091232 -2.200702
H 3.362659 1.688047 -1.915748
H 4.992690 -1.278043 -0.242695
H 6.169829 0.006587 0.042786
H 5.132965 -0.555077 1.359149
H 5.378749 2.446145 0.342089
H 3.653707 2.802315 0.440311
H 4.454950 1.894637 1.734462
H -0.923260 -2.583065 1.708114
H -1.575348 -1.021318 2.185919
H -3.396921 2.700610 0.564917
H -4.025616 1.176123 1.315297
H -5.508387 0.418721 -1.935747
H -5.360124 -0.269555 -0.267210
H 2.637676 -1.154635 -1.436151
H 2.505938 1.288178 2.120296
H 0.445554 -2.126728 -0.848827
H 0.324339 0.328500 2.699891


%chk=000203335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203335

0 1
S -2.474178 -3.246589 -0.157741
O -4.639957 1.507225 -0.911840
N -2.656699 -0.525869 -0.345516
C 4.198463 0.702678 -0.090744
C 2.796366 0.199551 0.328298
C -2.414597 0.894204 0.015317
C -3.557550 -0.651713 -1.519073
C 4.123814 1.302127 -1.527811
C 5.197692 -0.494024 -0.083408
C 4.744438 1.795966 0.863440
C -1.171276 -1.364097 1.468098
C 0.190664 -0.798080 1.050092
C -3.763563 1.605472 0.262736
C -4.878775 0.089033 -1.245250
C -2.132281 -1.619036 0.302128
C 2.145451 -0.807972 -0.437362
C 2.106706 0.694458 1.463348
C 0.872524 -1.299478 -0.088101
C 0.826583 0.206316 1.816271
H -1.892247 1.384939 -0.829617
H -1.767482 0.972542 0.899400
H -3.728973 -1.726455 -1.704050
H -3.051724 -0.205402 -2.397771
H 5.123317 1.651138 -1.848929
H 3.772775 0.556637 -2.263578
H 3.429920 2.162298 -1.559815
H 4.882142 -1.294247 -0.776362
H 6.204067 -0.154249 -0.392742
H 5.275730 -0.934334 0.927502
H 5.745658 2.117341 0.522573
H 4.093866 2.690223 0.878683
H 4.848209 1.421713 1.898793
H -1.028027 -2.343464 1.954758
H -1.635128 -0.700271 2.225032
H -3.608409 2.684410 0.428146
H -4.265049 1.161871 1.150756
H -5.513874 0.102503 -2.145479
H -5.423168 -0.406870 -0.413739
H 2.642815 -1.222377 -1.322326
H 2.563337 1.468953 2.086685
H 0.401382 -2.084339 -0.691769
H 0.325335 0.606668 2.707864


