%chk=000198921.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198921

0 1
S -4.593089 0.937775 -1.063380
O -1.967330 0.514332 -1.778618
O -0.474667 1.715363 -0.175722
O -0.620241 0.262286 1.556654
N 5.067447 0.515240 0.431774
C -2.076489 -0.005522 -0.448710
C -1.910335 -1.512207 -0.568495
C -3.413052 0.381981 0.087174
C -0.974548 0.608687 0.459573
C 4.502236 -0.555484 1.322029
C 6.455131 0.171311 -0.027012
C -1.964039 -2.116664 -1.831463
C -1.731925 -2.295770 0.580519
C 4.169536 0.761779 -0.749694
C -3.927804 0.373047 1.348820
C 5.181307 -0.504931 2.690906
C 7.158095 1.416621 -0.568359
C -1.837943 -3.504267 -1.943185
C -1.606992 -3.681823 0.461458
C -5.297658 0.829786 1.392893
C -5.794206 1.174313 0.171976
C -1.660906 -4.287544 -0.798654
C 0.639653 2.440279 0.453880
C 2.924386 1.358038 -0.319102
C 1.885450 1.859816 0.035595
H 3.412505 -0.359758 1.454197
H 4.590620 -1.572503 0.884010
H 7.019751 -0.207093 0.856484
H 6.472510 -0.641356 -0.784654
H -2.102264 -1.498397 -2.722720
H -1.677103 -1.824201 1.564955
H 4.695403 1.472212 -1.440780
H 3.957239 -0.161197 -1.345918
H -3.392293 0.067168 2.239399
H -1.735670 1.478888 -1.774212
H 4.660574 -1.147572 3.408590
H 5.173971 0.519016 3.091142
H 6.227878 -0.825188 2.647136
H 8.227131 1.231412 -0.714884
H 7.055919 2.256930 0.133488
H 6.740463 1.746487 -1.525659
H -1.879908 -3.973421 -2.924549
H -1.467127 -4.290327 1.353286
H -5.846424 0.880869 2.323840
H -6.776557 1.542431 -0.069027
H -1.565113 -5.368257 -0.887399
H 0.507872 2.411105 1.557587
H 0.478205 3.464613 0.056034


%chk=000198921-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198921

0 1
S -4.960973 0.265400 -0.723444
O -2.229065 0.444893 -1.955891
O -0.585685 1.923528 -0.613324
O -0.481859 0.560577 1.278168
N 4.896143 0.479074 0.372355
C -2.112887 0.040819 -0.552618
C -1.781113 -1.468675 -0.542702
C -3.404142 0.376221 0.190425
C -0.965127 0.824212 0.160780
C 4.047168 -0.623806 0.913133
C 6.284828 0.038405 0.064659
C -1.233093 -2.071635 -1.699809
C -1.983092 -2.244398 0.623092
C 4.270133 1.119288 -0.818924
C -3.626031 0.712108 1.518506
C 4.443235 -1.048024 2.338781
C 7.271155 1.204508 -0.140014
C -0.896278 -3.443842 -1.690409
C -1.640139 -3.614073 0.630998
C -5.020762 0.892840 1.845031
C -5.864961 0.690759 0.765961
C -1.095931 -4.219245 -0.525556
C 0.528708 2.779069 -0.050654
C 2.957569 1.725812 -0.541909
C 1.844150 2.213229 -0.333014
H 3.006902 -0.252223 0.936414
H 4.057924 -1.514169 0.232213
H 6.632854 -0.560878 0.923561
H 6.307760 -0.639621 -0.829543
H -1.098018 -1.463633 -2.597848
H -2.411441 -1.783889 1.518518
H 4.950724 1.908379 -1.188500
H 4.140379 0.391291 -1.665211
H -2.815291 0.820677 2.243260
H -2.008765 1.411234 -2.016834
H 3.708439 -1.775439 2.729558
H 4.453436 -0.167957 3.005033
H 5.437971 -1.527308 2.382294
H 8.303119 0.816775 -0.222934
H 7.223561 1.894796 0.720192
H 7.066416 1.783109 -1.059162
H -0.480802 -3.906268 -2.593016
H -1.801004 -4.208247 1.537471
H -5.376341 1.165593 2.841589
H -6.949929 0.769870 0.719473
H -0.834435 -5.283574 -0.519400
H 0.363809 2.873114 1.038080
H 0.370381 3.749626 -0.547624


