%chk=000217442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217442

0 1
S -4.898630 1.715678 0.081145
O 4.920189 0.514162 0.629034
N -2.860591 -0.017461 -0.167120
C -1.419277 -0.205535 0.247524
C -3.824042 -0.577408 0.844106
C -0.512789 0.215316 -0.938205
C -1.130868 -1.668762 0.659700
C -3.171784 1.414313 -0.442372
C -5.211271 -0.003129 0.585685
C 0.936144 0.250550 -0.541686
C -1.457887 -2.704381 -0.411623
C 1.427083 1.320083 0.234326
C 1.811451 -0.765971 -0.940785
C 2.763903 1.373509 0.606460
C 3.163971 -0.736112 -0.581034
C 3.624520 0.335377 0.190258
C 5.902099 -0.481178 0.255927
H -1.173052 0.445887 1.130141
H -3.511543 -0.380645 1.893497
H -3.829874 -1.682844 0.700991
H -0.808188 1.209038 -1.329855
H -0.683180 -0.478241 -1.788019
H -0.054063 -1.741236 0.924512
H -1.673943 -1.910234 1.593149
H -2.516572 2.145120 0.072361
H -3.093339 1.571659 -1.540052
H -5.741739 -0.540087 -0.222070
H -5.853645 -0.017099 1.481770
H -0.772549 -2.631859 -1.263866
H -2.471326 -2.563354 -0.812106
H -1.389146 -3.722311 -0.015119
H 0.751241 2.116358 0.545352
H 1.441496 -1.597745 -1.540465
H 3.161164 2.190403 1.204178
H 3.825572 -1.532642 -0.902066
H 5.635396 -1.455020 0.675926
H 6.811896 -0.086054 0.726601
H 6.009869 -0.520646 -0.831700


%chk=000217442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217442

0 1
S -5.179444 1.410643 -0.604190
O 5.044733 0.346541 0.653222
N -2.904487 -0.018586 -0.111843
C -1.471034 -0.124871 0.311259
C -3.882163 -0.446660 0.925240
C -0.534549 0.346537 -0.846886
C -1.124871 -1.564761 0.778518
C -3.277896 1.342635 -0.566811
C -5.281565 -0.240285 0.330159
C 0.942029 0.316185 -0.481374
C -1.407311 -2.667052 -0.265561
C 1.474564 1.243576 0.457729
C 1.831757 -0.622730 -1.053488
C 2.834400 1.229121 0.813951
C 3.204579 -0.655621 -0.710803
C 3.706361 0.274859 0.230935
C 5.986455 -0.612964 0.073901
H -1.288701 0.559565 1.184359
H -3.778021 0.146006 1.869345
H -3.727438 -1.511470 1.168103
H -0.806747 1.382445 -1.123796
H -0.732169 -0.282002 -1.734200
H -0.052686 -1.573324 1.049565
H -1.672796 -1.788925 1.713979
H -2.929383 2.143413 0.126503
H -2.910720 1.536624 -1.585226
H -5.535850 -1.032685 -0.389980
H -6.058298 -0.156638 1.106188
H -0.756929 -2.559978 -1.152213
H -2.452793 -2.622437 -0.617711
H -1.220499 -3.668051 0.164616
H 0.814175 1.994917 0.908539
H 1.451611 -1.345227 -1.786263
H 3.246799 1.944627 1.532129
H 3.859054 -1.396740 -1.179822
H 5.699188 -1.655855 0.312853
H 6.956073 -0.380565 0.538337
H 6.061266 -0.492769 -1.024762


