%chk=000289125.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289125

0 1
S 3.747025 -1.835861 -0.373881
O -4.641600 -0.125334 0.023943
O -3.566346 -1.999771 0.071667
N 1.341680 1.847753 -0.047735
N -3.608851 -0.778288 0.037609
C 1.457767 -0.439939 0.003471
C 2.212564 0.722792 -0.025273
C 0.061655 -0.054991 0.001323
C 3.691636 0.877615 -0.051510
C 0.023277 1.387555 -0.034671
C 1.976017 -1.818283 0.045853
C 4.373688 -0.369805 0.498427
C -1.136280 -0.771620 0.024563
C -1.192998 2.104211 -0.047811
C -2.331938 -0.049268 0.012375
C -2.363484 1.373529 -0.024025
H 4.023162 1.064899 -1.100871
H 4.014212 1.769011 0.529154
H 1.814851 -2.278099 1.043644
H 1.466679 -2.473189 -0.694946
H 1.631666 2.806894 -0.084447
H 5.468460 -0.341885 0.333087
H 4.212235 -0.473565 1.588026
H -1.143963 -1.865983 0.051622
H -1.202341 3.190029 -0.076112
H -3.339471 1.872893 -0.032781


%chk=000289125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289125

0 1
S 3.828894 -1.918643 -0.456988
O -4.733635 -0.092762 0.018293
O -3.592264 -2.065844 0.084116
N 1.334660 1.844827 -0.060236
N -3.632569 -0.772798 0.039610
C 1.458918 -0.434582 0.014851
C 2.211465 0.739134 -0.023912
C 0.058928 -0.043282 0.008352
C 3.708428 0.897940 -0.037807
C 0.015767 1.400439 -0.042366
C 2.004648 -1.835970 0.059649
C 4.405466 -0.377104 0.478616
C -1.151867 -0.768257 0.035229
C -1.199567 2.121463 -0.064240
C -2.354813 -0.032840 0.011977
C -2.397795 1.390881 -0.036574
H 4.061591 1.116026 -1.065472
H 4.011810 1.756400 0.598029
H 1.913734 -2.281866 1.066854
H 1.481051 -2.496177 -0.653974
H 1.630933 2.818839 -0.090989
H 5.494311 -0.332626 0.315917
H 4.209537 -0.533421 1.553124
H -1.189748 -1.860201 0.073313
H -1.217182 3.215483 -0.102543
H -3.371400 1.886240 -0.052128


