%chk=000186332.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186332

0 1
S -1.857009 1.454678 -0.624956
O -2.130871 -1.201508 -0.881063
N -4.061875 0.022816 -0.550611
C 1.878580 -0.179079 -0.631635
C 2.577589 0.765994 0.164503
C 0.479915 0.006789 -0.877499
C -0.159086 1.086734 -0.329637
C 1.865609 1.880803 0.715618
C 2.587789 -1.296941 -1.175077
C 3.976389 0.579613 0.400133
C 0.523369 2.039396 0.480914
C 3.929804 -1.451377 -0.932197
C 4.632679 -0.500677 -0.135490
C -4.981850 -1.146470 -0.521937
C -2.702151 -0.157608 -0.680725
C -5.519713 -1.396580 0.883147
H -0.054010 -0.732887 -1.485121
H 2.411607 2.596921 1.328577
H 2.039265 -2.018632 -1.780288
H 4.505752 1.309351 1.010656
H -0.023269 2.880928 0.908188
H 4.477781 -2.298876 -1.341110
H 5.697305 -0.650047 0.038748
H -5.813594 -0.945269 -1.234756
H -4.439087 -2.048316 -0.897161
H -4.460819 0.918193 -0.276565
H -4.709204 -1.605852 1.594796
H -6.083378 -0.541755 1.273619
H -6.191017 -2.264443 0.895828


%chk=000186332-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186332

0 1
S -1.903236 1.509442 -0.944262
O -2.121522 -1.272863 -0.592426
N -4.101942 -0.023410 -0.592799
C 1.915384 -0.144579 -0.737608
C 2.571419 0.741562 0.203365
C 0.543798 0.087324 -1.085400
C -0.157339 1.141767 -0.498810
C 1.818753 1.820487 0.775168
C 2.662727 -1.227946 -1.309164
C 3.947561 0.511246 0.533653
C 0.477807 2.015604 0.442396
C 4.002483 -1.427533 -0.968686
C 4.650823 -0.550694 -0.040192
C -5.027159 -1.167639 -0.448427
C -2.738525 -0.185615 -0.658244
C -5.513159 -1.363996 1.002851
H 0.050555 -0.577158 -1.800050
H 2.307567 2.491526 1.491319
H 2.163078 -1.900202 -2.016454
H 4.441751 1.182451 1.246481
H -0.099239 2.828151 0.895174
H 4.564394 -2.258239 -1.409580
H 5.702086 -0.719190 0.218311
H -5.884971 -1.008674 -1.128673
H -4.483802 -2.063780 -0.791582
H -4.480373 0.925356 -0.553360
H -4.658246 -1.555765 1.673460
H -6.054018 -0.473660 1.372711
H -6.200157 -2.228073 1.059725


