%chk=000298483.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298483

0 1
S 1.836598 -1.641998 -0.190650
S -4.566406 0.192651 1.526289
O 2.654747 -2.333523 0.770240
O 1.434623 -2.257425 -1.430815
O -0.769264 -0.715529 3.149248
O -2.851399 -0.099290 3.161026
N 0.370334 -1.319138 0.732513
N -1.832096 -0.478545 2.582320
N -4.821548 -0.061581 -1.081782
C -0.901380 -1.051364 0.255947
C 2.435644 -0.067177 -0.477782
C -1.930485 -0.636566 1.152719
C -3.191519 -0.334715 0.612852
C -3.489974 -0.420780 -0.755175
C -1.223406 -1.157412 -1.139038
C -2.471885 -0.855608 -1.641486
C 3.272803 0.547426 0.464573
C 2.105211 0.612715 -1.658563
C 3.423515 2.519765 -0.941232
C 3.763192 1.831219 0.237940
C 2.592303 1.896483 -1.890848
C 3.954332 3.888900 -1.191311
C -5.494879 0.275855 -0.015928
H 0.458374 -1.348925 1.783274
H -0.461209 -1.547395 -1.830379
H -2.695547 -0.951947 -2.707766
H 3.551161 0.014895 1.382392
H 1.466447 0.131853 -2.408648
H 4.412557 2.301809 0.975667
H 2.330723 2.418370 -2.810705
H 4.918577 3.842328 -1.724064
H 4.131649 4.451429 -0.262946
H 3.279556 4.499760 -1.808583
H -6.532050 0.588261 -0.005699


%chk=000298483-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298483

0 1
S 1.837073 -1.710737 -0.132842
S -4.834235 0.028496 1.625207
O 2.757822 -2.395991 1.005976
O 1.497801 -2.443019 -1.541770
O -0.715076 -1.245504 3.170333
O -2.873357 -0.576168 3.454784
N 0.276837 -1.386687 0.821747
N -1.878349 -0.863991 2.678671
N -4.829564 0.114221 -1.073049
C -0.966728 -1.045296 0.329281
C 2.481925 0.021578 -0.507223
C -2.055165 -0.763821 1.247277
C -3.323906 -0.380014 0.731915
C -3.534879 -0.272542 -0.674072
C -1.222732 -0.943502 -1.080159
C -2.472559 -0.566190 -1.568408
C 3.127003 0.716100 0.528908
C 2.325326 0.525275 -1.807461
C 3.481854 2.573526 -1.058880
C 3.621925 2.005061 0.236750
C 2.832324 1.817114 -2.070209
C 4.047574 3.947283 -1.364022
C -5.606094 0.305084 -0.029766
H 0.353319 -1.531067 1.854097
H -0.428078 -1.223560 -1.775322
H -2.659017 -0.503220 -2.644397
H 3.252021 0.265931 1.518863
H 1.849194 -0.075664 -2.588500
H 4.126789 2.574540 1.025042
H 2.724680 2.238617 -3.075857
H 5.101391 3.871018 -1.694879
H 4.030450 4.600623 -0.474879
H 3.486063 4.448717 -2.170732
H -6.652332 0.608586 -0.082824


