%chk=000180140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180140

0 1
S -2.982961 -0.962631 -1.874839
P -3.160273 -0.924396 0.006717
O -2.209264 0.147953 0.847155
O -4.631503 -0.512115 0.634549
O -2.868742 -2.286918 0.856564
O 8.300453 0.183054 0.437014
O 8.010820 0.056211 -1.702413
N 7.594175 0.117063 -0.556614
C 1.904175 0.087726 0.216618
C 3.369478 0.095994 0.017805
C -0.837259 0.066525 0.581022
C 1.313663 -0.890613 1.035409
C 1.105808 1.056030 -0.416115
C -0.068050 -0.912641 1.222906
C -0.277716 1.055860 -0.236774
C 3.902912 0.022622 -1.281439
C 4.229851 0.176675 1.127466
C 5.282620 0.027938 -1.474219
C 5.610855 0.185549 0.944585
C 6.130325 0.110059 -0.357789
C -5.172219 0.700820 0.171424
C -3.443709 -3.534459 0.332235
C -4.726329 1.906893 0.724412
C -6.224279 0.623444 -0.747224
C -2.850873 -4.583210 1.251538
C -5.372122 3.081606 0.331633
C -6.851728 1.815115 -1.121446
C -6.428483 3.037247 -0.586440
H 1.937210 -1.642234 1.521605
H 1.568340 1.815598 -1.048392
H -0.544973 -1.666589 1.852589
H -0.913907 1.798640 -0.718108
H 3.233317 -0.047871 -2.140425
H 3.813796 0.241657 2.133909
H 5.712495 -0.031819 -2.480519
H 6.293435 0.251268 1.799341
H -3.137195 -3.680294 -0.722127
H -4.545138 -3.472624 0.423024
H -3.904146 1.921211 1.441369
H -6.537381 -0.336564 -1.152170
H -3.041796 -4.335792 2.306718
H -1.760564 -4.649990 1.136806
H -3.275553 -5.574815 1.054515
H -5.049946 4.037302 0.745029
H -7.673814 1.788853 -1.836744
H -6.923107 3.959561 -0.886757


%chk=000180140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180140

0 1
S -3.174739 -1.334227 -2.132965
P -3.227755 -0.984749 -0.112015
O -2.114144 0.187708 0.564904
O -4.696679 -0.380301 0.598961
O -2.936540 -2.304650 0.953541
O 8.577301 -0.442721 0.542531
O 8.403608 0.693314 -1.429394
N 7.885111 0.123586 -0.391129
C 2.112314 0.109363 0.109365
C 3.594383 0.112305 -0.019670
C -0.709049 0.105040 0.366108
C 1.437997 -0.959225 0.765270
C 1.328904 1.175011 -0.416728
C 0.037032 -0.969993 0.898735
C -0.074035 1.177248 -0.295273
C 4.230942 0.713154 -1.144440
C 4.417955 -0.485657 0.978453
C 5.630176 0.722406 -1.274440
C 5.818704 -0.487711 0.865702
C 6.411133 0.119376 -0.263717
C -5.376200 0.775442 0.102316
C -3.673637 -3.589576 0.716461
C -4.817361 2.059409 0.283170
C -6.647990 0.591403 -0.477769
C -2.982224 -4.643356 1.574591
C -5.561134 3.185591 -0.133438
C -7.382795 1.728875 -0.882133
C -6.841783 3.024956 -0.713915
H 2.012184 -1.808177 1.151366
H 1.819919 2.026380 -0.900008
H -0.483951 -1.791296 1.399902
H -0.678709 1.996620 -0.694547
H 3.620539 1.147741 -1.942386
H 3.956909 -0.923745 1.869500
H 6.125650 1.172568 -2.138483
H 6.457570 -0.935592 1.631225
H -3.628065 -3.834721 -0.362088
H -4.725835 -3.435585 1.017420
H -3.829867 2.160297 0.744031
H -7.044635 -0.420683 -0.601462
H -3.004501 -4.357102 2.639519
H -1.932117 -4.776597 1.263901
H -3.504640 -5.611386 1.463184
H -5.142095 4.188593 0.002188
H -8.373422 1.600309 -1.331338
H -7.413732 3.903251 -1.031600


