%chk=000215699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215699

0 1
S -4.548648 0.292625 -0.000629
O 1.571582 -2.697895 0.267230
O -4.876529 1.619980 -0.489638
O -5.182052 -0.884122 -0.563485
N 1.351951 -0.385561 0.044438
N -4.997484 0.298553 1.663366
C 3.707361 0.211007 -0.242278
C 2.266908 0.792423 -0.064375
C 3.557821 -1.291690 0.123571
C 4.703886 0.893990 0.718205
C 4.157503 0.350362 -1.699431
C 2.080850 -1.607583 0.156804
C -0.056273 -0.228042 0.034232
C 4.866977 2.391884 0.480891
C -0.903902 -1.359251 0.065722
C -0.623819 1.068043 -0.010675
C -2.282712 -1.190095 0.052885
C -2.008096 1.212726 -0.021305
C -2.846924 0.093121 0.013701
H 2.188663 1.411676 0.854462
H 1.977503 1.430525 -0.924474
H 4.008551 -1.537455 1.105168
H 4.072490 -1.954563 -0.598943
H 5.692204 0.399301 0.621483
H 4.386978 0.721690 1.767035
H 5.157248 -0.071888 -1.855071
H 3.474096 -0.163626 -2.386763
H 4.204049 1.400221 -2.012683
H 5.261791 2.606406 -0.519695
H 3.921294 2.934851 0.584941
H 5.569657 2.826366 1.203491
H -0.479735 -2.369950 0.099521
H -0.001007 1.957073 -0.036415
H -2.933169 -2.073408 0.063372
H -2.443531 2.219062 -0.066548
H -5.550884 -0.481029 2.010864
H -5.361395 1.163373 2.055823


%chk=000215699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215699

0 1
S -4.632817 0.349320 -0.055779
O 1.635167 -2.776651 0.176449
O -4.919977 1.891302 -0.500016
O -5.274725 -0.939100 -0.820052
N 1.407969 -0.401396 0.104260
N -5.154656 0.261322 1.713509
C 3.734425 0.207427 -0.164696
C 2.314967 0.775878 0.158957
C 3.610555 -1.265457 0.315784
C 4.847896 0.972403 0.600535
C 3.970834 0.228984 -1.697584
C 2.128295 -1.617304 0.185618
C -0.003740 -0.252227 0.077260
C 4.970375 2.474435 0.260071
C -0.866905 -1.374388 -0.104725
C -0.570564 1.048637 0.222219
C -2.262175 -1.193716 -0.135783
C -1.965370 1.232085 0.192448
C -2.778174 0.103140 0.016057
H 2.282222 1.237245 1.167368
H 2.003477 1.533685 -0.581239
H 3.898770 -1.374564 1.380458
H 4.219882 -1.977182 -0.264914
H 5.816477 0.472805 0.398020
H 4.662880 0.862622 1.689010
H 4.950437 -0.219373 -1.945510
H 3.190591 -0.348305 -2.227696
H 3.956084 1.258564 -2.096848
H 5.254150 2.635170 -0.795102
H 4.021949 3.014010 0.442605
H 5.745744 2.950098 0.887065
H -0.434378 -2.370089 -0.212378
H 0.068105 1.922957 0.368857
H -2.933860 -2.041903 -0.301680
H -2.409624 2.228083 0.283634
H -5.683313 -0.616417 1.851844
H -5.717769 1.107003 1.906771


