%chk=000216106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216106

0 1
S 4.098651 1.192814 -0.233348
O 1.690870 0.546914 -1.839837
O -0.373396 0.863052 1.051345
N -4.408398 0.211768 -0.212413
N -0.830160 0.782583 -1.191657
C 1.481924 0.279886 -0.436666
C -3.055762 -0.226364 -0.679554
C -2.275667 1.064988 -1.022223
C -5.502224 -0.451253 -0.997860
C -4.584823 0.003456 1.264140
C 0.002695 0.672395 -0.095377
C 1.640877 -1.220987 -0.257406
C 2.466881 1.049188 0.368938
C -6.802730 0.341296 -0.853668
C -3.655651 0.919339 2.058807
C 1.306233 -1.800670 0.975677
C 2.124460 -2.016397 -1.302905
C 2.344613 1.684832 1.567284
C 1.455245 -3.177031 1.156373
C 2.269759 -3.394373 -1.115256
C 3.572572 2.311086 2.003484
C 4.606513 2.142416 1.135199
C 1.936470 -3.975053 0.111981
H -2.502871 -0.801965 0.096395
H -3.106589 -0.886711 -1.568037
H -2.412088 1.814142 -0.203635
H -2.667603 1.528238 -1.950947
H -5.203630 -0.461102 -2.070104
H -5.665533 -1.509865 -0.701022
H -5.641623 0.250686 1.514534
H -4.423951 -1.054724 1.565764
H -0.499770 0.515329 -2.119146
H -7.216298 0.271487 0.158852
H -6.633903 1.408314 -1.055127
H -7.562646 -0.018832 -1.553935
H -2.590094 0.710037 1.866354
H -3.818983 1.972599 1.799412
H -3.820921 0.808236 3.134609
H 0.928262 -1.173488 1.787659
H 2.387819 -1.555135 -2.257504
H 1.424456 1.731944 2.148072
H 1.897901 1.499134 -1.986991
H 1.197771 -3.628508 2.113059
H 2.646576 -4.013703 -1.927242
H 3.626372 2.855643 2.937218
H 5.616548 2.505597 1.215297
H 2.052748 -5.047639 0.256707


%chk=000216106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216106

0 1
S 4.320945 0.781619 -0.072082
O 1.656720 0.598204 -1.887400
O -0.272396 0.758731 1.251048
N -4.436444 0.139604 -0.155984
N -0.799007 0.886966 -1.016679
C 1.518275 0.291461 -0.431335
C -3.018995 -0.160520 -0.474062
C -2.232780 1.140311 -0.795013
C -5.412408 -0.472209 -1.094966
C -4.775441 -0.056760 1.277604
C 0.064105 0.686823 0.027042
C 1.654789 -1.238460 -0.275763
C 2.567405 1.059230 0.342755
C -6.770408 0.256955 -1.128368
C -4.015655 0.899320 2.217651
C 1.613359 -1.807175 1.022059
C 1.801735 -2.076594 -1.405385
C 2.449179 1.993010 1.362206
C 1.725988 -3.204332 1.184866
C 1.916619 -3.475729 -1.236870
C 3.711376 2.518507 1.823057
C 4.805746 1.987361 1.161067
C 1.879237 -4.044377 0.056217
H -2.515549 -0.665293 0.375191
H -2.949366 -0.850356 -1.339260
H -2.341991 1.833310 0.055780
H -2.656067 1.625950 -1.691404
H -4.969060 -0.424225 -2.107537
H -5.579864 -1.557825 -0.871283
H -5.859912 0.119209 1.395892
H -4.583574 -1.115015 1.594107
H -0.401489 0.791324 -1.956605
H -7.309284 0.180393 -0.167178
H -6.619823 1.327722 -1.352257
H -7.420199 -0.182096 -1.908368
H -2.920901 0.761252 2.157223
H -4.247386 1.949480 1.963931
H -4.319522 0.717917 3.265647
H 1.485760 -1.154646 1.892533
H 1.842539 -1.626014 -2.400274
H 1.480272 2.262336 1.786144
H 2.088391 1.487353 -1.964991
H 1.695871 -3.637318 2.191023
H 2.037674 -4.119227 -2.115814
H 3.798660 3.261517 2.619309
H 5.863871 2.204916 1.297084
H 1.969907 -5.129007 0.184744


