%chk=000209210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209210

0 1
S 1.795847 -1.842446 -1.278363
S -0.614298 -3.656947 1.925487
O 3.130594 -2.417344 -1.300797
O 0.950143 -1.984965 -2.433044
N 1.112160 -2.745766 0.062269
N -0.905191 -1.570046 0.135105
C 1.866316 -0.221131 -0.740552
C 3.023739 0.249919 -0.102164
C 0.784418 0.644265 -0.941679
C 2.000208 2.434716 0.153388
C 3.095034 1.566877 0.341112
C 0.846903 1.964911 -0.491602
C -2.223189 -1.216635 0.681066
C -2.447987 0.255961 0.411226
C -0.157975 -2.508913 0.594510
C 2.083224 3.847049 0.627260
C -2.375329 1.184567 1.458582
C -2.731507 0.693936 -0.891483
C -2.592800 2.542170 1.203581
C -2.945020 2.051609 -1.140644
C -2.877678 2.977798 -0.093956
C 0.591539 -3.271678 3.213296
H 3.879392 -0.420893 0.040250
H -0.122648 0.286115 -1.449592
H 1.575766 -3.624183 0.340334
H 3.996584 1.928517 0.830518
H -0.012815 2.619872 -0.635561
H -2.334364 -1.443370 1.767799
H -3.005299 -1.823182 0.159087
H 2.558243 3.925316 1.615360
H 2.683500 4.455873 -0.067187
H 1.098225 4.327736 0.705084
H -2.146307 0.853749 2.469419
H -2.773632 -0.027975 -1.707906
H -2.540951 3.260551 2.019644
H -3.166691 2.388451 -2.152256
H -3.051591 4.033601 -0.289395
H 1.617063 -3.504706 2.904289
H 0.350546 -3.887084 4.091855
H 0.548927 -2.217296 3.510560


%chk=000209210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209210

0 1
S 2.028202 -2.009603 -1.191314
S -0.794437 -3.642186 2.017026
O 3.500486 -2.671866 -0.979540
O 1.229252 -2.209522 -2.583415
N 1.106834 -2.765758 0.283187
N -0.989651 -1.778929 -0.182779
C 2.115522 -0.186242 -0.729137
C 3.318183 0.266208 -0.163882
C 1.008830 0.638006 -0.982792
C 2.316406 2.519387 -0.062923
C 3.405862 1.636755 0.165341
C 1.123215 2.001237 -0.633905
C -2.404049 -1.485120 0.116574
C -2.619185 0.017115 0.282742
C -0.252617 -2.577292 0.506910
C 2.432097 3.994516 0.274232
C -2.589859 0.611309 1.568450
C -2.833525 0.844721 -0.848205
C -2.767624 2.005051 1.724393
C -3.012036 2.238659 -0.698420
C -2.979156 2.823112 0.590112
C 0.023843 -2.603828 3.376589
H 4.150018 -0.426762 -0.001760
H 0.089640 0.224002 -1.405280
H 1.555120 -3.643579 0.577306
H 4.332304 2.023125 0.605449
H 0.264935 2.662483 -0.798714
H -2.747716 -2.028911 1.022259
H -2.997716 -1.845533 -0.745034
H 3.168327 4.172602 1.076888
H 2.761833 4.573843 -0.609906
H 1.462435 4.412683 0.596014
H -2.432761 -0.021438 2.451303
H -2.862190 0.393252 -1.847648
H -2.749480 2.450204 2.725670
H -3.187215 2.864887 -1.580671
H -3.127611 3.902411 0.709471
H 1.096930 -2.492459 3.164755
H -0.121975 -3.160437 4.315212
H -0.458374 -1.617103 3.440341


