%chk=000211617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211617

0 1
S -8.552444 0.139376 0.165151
O 1.504730 -0.022366 0.767932
N -4.524301 -0.035739 -0.438365
C -2.058047 -0.101054 -0.341358
C -0.826429 -0.036290 0.564768
C -3.351000 -0.060527 0.489841
C 0.460806 -0.058193 -0.256939
C 2.799091 0.001585 0.240003
C -5.821920 -0.037845 0.310435
C 3.415395 1.246564 0.005440
C 3.479697 -1.218264 0.057389
C -6.956777 0.086260 -0.703020
C 4.746426 1.252981 -0.436358
C 4.809845 -1.174099 -0.384909
C 2.678135 2.523530 0.228885
C 2.809510 -2.521382 0.335194
C 5.432519 0.051829 -0.632252
H -2.028833 -1.017566 -0.961581
H -2.056471 0.747423 -1.057130
H -0.817046 -0.880067 1.284362
H -0.845112 0.877715 1.192947
H -3.377957 0.870453 1.099796
H -3.375741 -0.911365 1.204645
H 0.581714 -0.980901 -0.847547
H 0.571955 0.824293 -0.908008
H -4.486753 -0.848615 -1.063685
H -5.820194 0.836281 1.000926
H -5.959376 -0.941921 0.945250
H -6.821211 0.977745 -1.346622
H -6.995203 -0.783928 -1.387919
H 5.246740 2.200485 -0.624639
H 5.359101 -2.101311 -0.533356
H 1.750209 2.357956 0.800716
H 3.280248 3.245167 0.797545
H 2.403919 2.999061 -0.722218
H 3.445190 -3.182957 0.939319
H 1.870266 -2.379366 0.894625
H 2.568253 -3.053319 -0.594562
H 6.465300 0.071518 -0.977459
H -8.487334 1.382950 0.684059


%chk=000211617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211617

0 1
S -8.738242 0.102102 -0.061633
O 1.570696 0.016613 0.848831
N -4.569394 -0.117058 -0.404284
C -2.084294 -0.068262 -0.274693
C -0.848402 -0.033834 0.652431
C -3.408727 -0.073784 0.513496
C 0.463193 -0.021752 -0.135592
C 2.874991 0.018217 0.271129
C -5.894044 -0.074207 0.252531
C 3.501881 1.264602 -0.003907
C 3.531036 -1.225656 0.059047
C -6.993699 0.114539 -0.805862
C 4.822043 1.244021 -0.518680
C 4.850469 -1.200769 -0.456866
C 2.780702 2.573914 0.259252
C 2.839583 -2.535628 0.390042
C 5.491541 0.022687 -0.751274
H -2.038495 -0.972368 -0.919195
H -2.084552 0.805806 -0.954356
H -0.849117 -0.911951 1.326870
H -0.881789 0.865092 1.298075
H -3.482799 0.856017 1.111998
H -3.399191 -0.923449 1.242849
H 0.559586 -0.930908 -0.766296
H 0.524014 0.867918 -0.797359
H -4.498608 -0.913709 -1.054233
H -5.900209 0.790139 0.945725
H -6.125763 -0.978482 0.865942
H -6.840823 1.049512 -1.366896
H -7.007270 -0.725083 -1.523159
H 5.326305 2.194837 -0.730042
H 5.376867 -2.149052 -0.620056
H 2.090565 2.475421 1.114037
H 3.499242 3.384781 0.470297
H 2.178680 2.888589 -0.616140
H 3.577165 -3.326268 0.611523
H 2.170454 -2.415972 1.258881
H 2.219119 -2.892683 -0.455760
H 6.513998 0.024616 -1.145238
H -8.599806 1.277548 0.659864


