%chk=000257471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257471

0 1
S -1.098157 0.003847 0.921070
O -0.886293 -0.875201 2.048229
O -2.025350 1.117954 1.038626
O -4.516646 -0.380974 -1.795664
O 4.950429 0.171763 -1.056071
O 3.790937 -1.730075 -0.852151
N -1.532960 -0.979006 -0.425205
C -2.066472 -0.278750 -1.617353
C -2.152604 -2.296574 -0.102676
C 0.427421 0.666461 0.402896
C -3.408894 0.459345 -1.450939
C -3.541106 -2.226966 0.522104
C 1.476832 -0.173251 0.033462
C 0.596472 2.055949 0.391166
C 2.704986 0.386385 -0.361453
C 1.819627 2.612947 0.004436
C 2.876636 1.781233 -0.370926
C 3.795938 -0.524145 -0.758777
H -2.165647 -1.026587 -2.440242
H -1.286301 0.442244 -1.957676
H -2.186960 -2.897887 -1.039414
H -1.450623 -2.823827 0.590418
H -3.442853 1.372465 -2.070253
H -3.628879 0.739004 -0.394344
H -3.542329 -1.703056 1.486097
H -4.262905 -1.711736 -0.134302
H -3.937813 -3.231339 0.708610
H 1.362654 -1.266340 0.042459
H -0.235508 2.711268 0.686613
H 1.949007 3.695459 0.000639
H 3.841210 2.203815 -0.673299
H -4.487595 -0.626930 -2.739572
H 5.695248 -0.434893 -1.320406


%chk=000257471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257471

0 1
S -1.068547 -0.113323 0.980472
O -0.718768 -1.257715 2.082166
O -2.036343 1.156406 1.357143
O -4.612116 -0.521952 -1.871234
O 5.146588 0.212508 -1.000520
O 3.980026 -1.750137 -0.566326
N -1.623431 -1.036982 -0.548849
C -2.134009 -0.117741 -1.595521
C -2.325118 -2.313493 -0.210079
C 0.549110 0.648996 0.351212
C -3.572279 0.449796 -1.497899
C -3.625845 -2.232856 0.618469
C 1.629140 -0.198732 0.080776
C 0.609115 2.048840 0.251299
C 2.845361 0.400764 -0.334996
C 1.831501 2.630224 -0.162486
C 2.943013 1.812307 -0.455826
C 3.996293 -0.499062 -0.629871
H -2.017296 -0.664642 -2.554944
H -1.428233 0.736299 -1.642352
H -2.523015 -2.782719 -1.194002
H -1.586651 -2.941828 0.317995
H -3.634541 1.350856 -2.145910
H -3.798722 0.749903 -0.463579
H -3.434202 -1.761655 1.598389
H -4.414297 -1.682804 0.082114
H -3.988910 -3.259944 0.811266
H 1.560048 -1.286093 0.186299
H -0.269448 2.650043 0.510171
H 1.913170 3.718225 -0.248305
H 3.892944 2.251251 -0.772560
H -4.535224 -0.729641 -2.836606
H 5.882188 -0.432498 -1.179806


