%chk=000220682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220682

0 1
S 1.872271 -4.079606 0.726469
O -0.181352 0.679442 2.449804
O 0.290333 -0.953303 -2.056493
O -3.516027 1.110233 -0.632606
N -1.816891 0.896369 0.910778
N -1.585371 0.058254 -1.328041
C 0.368741 -0.216249 0.260207
C 1.629994 0.661274 0.076901
C 0.707311 -1.610765 0.859403
C -0.517687 0.474932 1.306292
C -0.260453 -0.419895 -1.120331
C 1.316934 2.078865 -0.420212
C 1.749015 -2.387917 0.072170
C 2.598767 2.883451 -0.616228
C -2.400223 0.721052 -0.372753
H 2.319383 0.161028 -0.636462
H 2.175171 0.712888 1.043337
H -0.231358 -2.203186 0.939780
H 1.054893 -1.460284 1.907804
H 0.659267 2.605722 0.300464
H 0.757158 2.039180 -1.376248
H 1.468468 -2.485431 -1.003862
H 2.737214 -1.893262 0.083324
H -2.402611 1.367961 1.621294
H -2.001153 -0.086017 -2.264662
H 3.166685 2.980622 0.316928
H 3.260996 2.422797 -1.359178
H 2.376437 3.899102 -0.966786
H 2.452888 -3.820756 1.916309


%chk=000220682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220682

0 1
S 1.808723 -4.135927 0.758718
O -0.109996 0.952803 2.367497
O 0.343391 -0.672402 -2.192930
O -3.775442 0.596924 -0.465856
N -1.905876 0.739024 0.931688
N -1.689433 -0.090958 -1.268744
C 0.354647 -0.105133 0.199790
C 1.673636 0.714097 0.041871
C 0.645677 -1.546124 0.808961
C -0.543347 0.582178 1.246084
C -0.299704 -0.298465 -1.176667
C 1.460041 2.171455 -0.426502
C 1.688338 -2.381210 0.047054
C 2.800293 2.920546 -0.585412
C -2.546819 0.422833 -0.279351
H 2.314323 0.191663 -0.690574
H 2.190236 0.710908 1.019967
H -0.300633 -2.118803 0.864291
H 0.985681 -1.376527 1.848584
H 0.824772 2.711442 0.303095
H 0.923460 2.177583 -1.396696
H 1.412120 -2.529780 -1.008012
H 2.691502 -1.931042 0.084168
H -2.506293 1.142735 1.658630
H -2.128016 -0.290356 -2.174279
H 3.350848 2.956065 0.373094
H 3.447645 2.421735 -1.330648
H 2.639409 3.960920 -0.920628
H 2.299616 -3.759682 2.000208


