%chk=000229599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229599

0 1
S 3.310322 -0.266827 0.084518
O 3.480309 -1.451801 0.900424
O 3.378298 -0.363293 -1.358980
N 4.528265 0.839398 0.616633
C -0.691221 0.521844 0.415706
C -1.915209 -0.252473 -0.091745
C 0.613182 -0.200094 0.047047
C -3.221917 0.464730 0.273106
C 1.837049 0.567075 0.551373
C -4.445406 -0.309915 -0.234515
C -5.754354 0.405202 0.129111
C -6.975077 -0.361978 -0.374009
C 5.381985 1.433573 -0.439827
H -0.690951 1.544437 -0.008734
H -0.755849 0.649726 1.513611
H -1.917478 -1.275881 0.331806
H -1.851776 -0.382315 -1.189900
H 0.601633 -1.225764 0.474498
H 0.669105 -0.325267 -1.056566
H -3.287658 0.593330 1.370784
H -3.222083 1.487237 -0.151388
H 1.775161 0.694926 1.652765
H 1.819258 1.607101 0.161870
H -4.382193 -0.440105 -1.332078
H -4.447677 -1.333017 0.188404
H -5.820742 0.533627 1.227250
H -5.755178 1.428103 -0.295691
H -7.026199 -1.367938 0.058010
H -7.904357 0.155429 -0.110718
H -6.960179 -0.474882 -1.464066
H 5.099051 0.529138 1.415830
H 6.184359 0.762636 -0.790900
H 5.846731 2.357087 -0.052928
H 4.778195 1.709650 -1.324400


%chk=000229599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229599

0 1
S 3.420866 -0.214835 -0.049594
O 3.467064 -1.637347 0.750454
O 3.586393 -0.138910 -1.671696
N 4.700812 0.950572 0.730689
C -0.743820 0.584117 0.329495
C -1.984351 -0.225822 -0.112774
C 0.582379 -0.127681 -0.043165
C -3.316879 0.473229 0.239136
C 1.785414 0.690542 0.423716
C -4.561301 -0.337162 -0.188939
C -5.894650 0.364375 0.157828
C -7.133440 -0.452600 -0.268869
C 5.736758 1.393106 -0.241750
H -0.773366 1.588029 -0.141560
H -0.784686 0.746440 1.426283
H -1.957028 -1.227258 0.363903
H -1.938293 -0.399390 -1.207623
H 0.610607 -1.130324 0.424750
H 0.630401 -0.271598 -1.139619
H -3.358501 0.655560 1.333514
H -3.346688 1.472069 -0.244466
H 1.860522 0.794921 1.518083
H 1.892212 1.667612 -0.073554
H -4.520919 -0.524065 -1.282476
H -4.536332 -1.334581 0.297689
H -5.933085 0.553280 1.250251
H -5.920048 1.359836 -0.330758
H -7.145788 -1.441458 0.227315
H -8.072899 0.068294 -0.007486
H -7.136255 -0.626732 -1.361509
H 5.092147 0.378188 1.504703
H 6.503949 0.631153 -0.479695
H 6.224119 2.287170 0.187547
H 5.242087 1.683966 -1.183524


