%chk=000193248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193248

0 1
S -4.508715 1.661980 1.208546
O 1.623925 0.339196 -1.339013
O -5.599553 1.144992 2.005244
O -3.837866 2.880561 1.593103
O 3.426784 0.549502 -3.471973
N -3.391442 0.358719 1.183702
N 5.019537 0.632847 -0.148338
C -1.950502 -2.216009 0.486870
C 0.375303 -2.150726 -0.681392
C -0.893736 -2.937919 1.365308
C -2.024635 -2.934330 -0.887104
C 0.485338 -2.901582 0.671503
C -0.644769 -2.898208 -1.579126
C -1.451263 -0.806681 0.239936
C -0.196065 -0.781670 -0.390123
C -2.100470 0.399688 0.580465
C 0.409324 0.451282 -0.687680
C -1.461475 1.621641 0.300469
C -0.220161 1.652240 -0.339572
C 2.419267 1.554057 -1.494077
C 3.711466 1.063686 -2.166418
C -5.001097 1.805025 -0.457024
C 4.429096 -0.030914 -1.342931
C 4.829455 -0.143996 1.125388
C 3.403907 0.093550 1.639063
C 5.871002 0.324991 2.150867
H -2.942302 -2.237106 0.982694
H 1.365372 -2.083188 -1.178431
H -0.837332 -2.451437 2.354863
H -1.208164 -3.979796 1.545897
H -2.358042 -3.976301 -0.744445
H -2.784755 -2.445890 -1.521037
H 0.861288 -3.924569 0.502487
H 1.226758 -2.397423 1.316454
H -0.718366 -2.392732 -2.557919
H -0.285790 -3.921309 -1.781763
H -1.912140 2.572333 0.609840
H 0.243360 2.612744 -0.547962
H -3.585894 -0.485481 1.736970
H 2.623653 1.984995 -0.496588
H 1.863960 2.257852 -2.135162
H 4.386654 1.925891 -2.379271
H 3.690826 -0.813910 -1.058763
H 5.183088 -0.528867 -1.987812
H -5.870637 1.177348 -0.704962
H -4.217811 1.526869 -1.179564
H -5.288534 2.833395 -0.727555
H 6.012251 0.823266 -0.311553
H 4.969548 -1.245113 0.953853
H 2.693131 -0.104053 -3.429182
H 2.652277 -0.178364 0.883659
H 3.238319 1.151498 1.876805
H 3.201765 -0.487773 2.542455
H 5.823353 1.411627 2.300818
H 5.695568 -0.140981 3.126931
H 6.892341 0.076257 1.847250


%chk=000193248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193248

0 1
S -4.821615 1.152330 0.056302
O 1.799851 0.459172 -1.207749
O -5.475511 2.648969 0.213896
O -4.396586 0.587087 -1.420569
O 3.634296 0.517247 -3.328670
N -3.194233 0.823701 1.417972
N 5.252524 0.685638 0.087823
C -2.240845 -1.771775 0.193132
C 0.070949 -1.898852 -1.026316
C -1.327001 -2.827502 0.900170
C -2.453994 -2.226658 -1.288244
C 0.051887 -2.912874 0.163416
C -1.070561 -2.299522 -2.018059
C -1.504698 -0.449364 0.173639
C -0.252809 -0.524183 -0.474468
C -1.957282 0.783801 0.742670
C 0.574923 0.624680 -0.556865
C -1.114108 1.933568 0.622579
C 0.143275 1.859372 0.005133
C 2.720905 1.618062 -1.309316
C 3.971516 1.083459 -2.014851
C -6.080444 -0.079685 0.788314
C 4.735411 0.052919 -1.145221
C 5.441819 -0.201272 1.272085
C 4.079919 -0.537332 1.919694
C 6.366283 0.512928 2.279012
H -3.203677 -1.684201 0.722961
H 1.051289 -1.912764 -1.530953
H -1.190850 -2.550180 1.961061
H -1.843288 -3.805782 0.880706
H -2.947616 -3.217182 -1.285844
H -3.130144 -1.512189 -1.787454
H 0.223829 -3.930441 -0.235308
H 0.882918 -2.688748 0.857481
H -1.056629 -1.624171 -2.892306
H -0.872096 -3.322459 -2.390805
H -1.460029 2.892743 1.028046
H 0.769476 2.753236 -0.054254
H -3.305350 1.731015 1.922133
H 2.990556 1.979346 -0.299429
H 2.237133 2.412800 -1.907935
H 4.634337 1.939318 -2.240514
H 4.035228 -0.753797 -0.863801
H 5.525577 -0.404398 -1.781440
H -6.275453 0.245160 1.818895
H -5.607531 -1.068939 0.744562
H -6.972382 -0.008017 0.150117
H 6.102711 1.234198 -0.100126
H 5.931447 -1.162172 0.974706
H 2.861408 -0.091913 -3.197740
H 3.383998 -0.998574 1.195485
H 3.607544 0.385307 2.303341
H 4.214283 -1.244850 2.758867
H 5.929926 1.486250 2.570723
H 6.496423 -0.096792 3.190232
H 7.369489 0.695988 1.847784


