%chk=000269773.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269773

0 1
S -0.001384 1.244974 -0.003282
O -0.282719 1.991258 -1.220280
O 0.278843 1.998733 1.209369
N 3.729412 -1.327585 -0.355023
N -3.728222 -1.331212 0.363109
C 1.351463 0.157854 -0.311327
C -1.352598 0.157642 0.311091
C 2.674057 0.898308 -0.138956
C -2.676303 0.894994 0.134037
C 3.893826 0.021734 -0.282158
C -3.894740 0.017431 0.282466
C 5.173663 0.620490 -0.324119
C -5.175482 0.614415 0.321139
C 6.296883 -0.195622 -0.445507
C -6.297428 -0.202726 0.447451
C 4.837272 -2.108222 -0.473418
C -4.834838 -2.112855 0.486198
C 6.136177 -1.584414 -0.522734
C -6.134559 -1.590778 0.532716
H 1.349083 -0.737936 0.349706
H 1.311186 -0.287231 -1.329747
H -1.348734 -0.742130 -0.344501
H -1.311805 -0.281219 1.332196
H 2.708614 1.384346 0.869041
H 2.742786 1.730238 -0.878455
H -2.711465 1.374797 -0.876927
H -2.746404 1.731346 0.868399
H 5.277999 1.701052 -0.261765
H -5.281530 1.694431 0.252500
H 7.294137 0.243769 -0.480218
H -7.295349 0.235330 0.479770
H 4.653508 -3.187605 -0.528731
H -4.649415 -3.191620 0.547688
H 6.996222 -2.241024 -0.618277
H -6.993556 -2.248165 0.632251


%chk=000269773-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269773

0 1
S -0.001191 1.177829 -0.001518
O -0.268455 1.993466 -1.403345
O 0.264636 2.007059 1.392547
N 3.892634 -1.305698 -0.512291
N -3.891780 -1.309110 0.518792
C 1.513678 0.005360 -0.281527
C -1.514231 0.005340 0.288896
C 2.770101 0.872781 -0.204339
C -2.772175 0.869348 0.199654
C 4.039737 0.043280 -0.328264
C -4.040631 0.038707 0.327836
C 5.317165 0.657960 -0.254733
C -5.318864 0.651271 0.250614
C 6.472906 -0.140902 -0.375385
C -6.473578 -0.148564 0.374496
C 5.020615 -2.067949 -0.626471
C -5.018795 -2.072340 0.636026
C 6.326391 -1.535903 -0.565796
C -6.325262 -1.542418 0.571828
H 1.457917 -0.750081 0.516523
H 1.337869 -0.446506 -1.268142
H -1.455507 -0.758832 -0.500572
H -1.339185 -0.435164 1.280796
H 2.771866 1.428106 0.755012
H 2.744158 1.637568 -1.005679
H -2.772085 1.415055 -0.765251
H -2.750168 1.642182 0.993311
H 5.394189 1.740299 -0.105097
H -5.397280 1.732760 0.095644
H 7.468099 0.313132 -0.321617
H -7.469357 0.303844 0.317950
H 4.856218 -3.141793 -0.772304
H -4.853009 -3.145203 0.787394
H 7.196291 -2.192433 -0.664393
H -7.194320 -2.199654 0.673106


