%chk=000246361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246361

0 1
S 3.626713 1.331584 0.429922
S -3.400015 1.668890 -0.132624
O 3.050729 -1.111423 -0.454282
O -3.037409 -0.900868 0.456237
N 1.404434 -0.062137 0.778027
N -1.304863 0.140626 -0.658859
C 0.411220 -1.152286 0.642290
C -0.409207 -1.038865 -0.659369
C 2.638295 -0.161556 0.169976
C -2.543874 0.076639 -0.056543
C 5.163862 0.888241 -0.403199
C -4.971135 1.264231 0.655594
H 0.940491 -2.137328 0.648984
H -0.261129 -1.138184 1.530726
H 0.266357 -0.976356 -1.543221
H -1.020774 -1.967145 -0.780812
H 1.093439 0.787324 1.242154
H -0.921479 1.008683 -1.023818
H 5.104880 -0.119841 -0.852953
H 5.993958 0.889715 0.313756
H 5.375915 1.605364 -1.205276
H -5.122901 1.899008 1.536842
H -4.999309 0.209478 0.985294
H -5.796597 1.419305 -0.049847


%chk=000246361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246361

0 1
S 3.458882 1.359730 0.752344
S -3.229465 1.720792 -0.451483
O 2.870651 -0.964609 -0.665830
O -2.850335 -0.797743 0.676901
N 1.291380 -0.268210 0.902198
N -1.205424 -0.054514 -0.799609
C 0.365573 -1.388307 0.655370
C -0.381807 -1.272542 -0.695726
C 2.477145 -0.156814 0.217365
C -2.382002 0.074627 -0.102205
C 4.935701 1.135502 -0.386702
C -4.724928 1.491295 0.661861
H 0.936601 -2.334557 0.652181
H -0.365721 -1.421183 1.479603
H 0.349220 -1.267682 -1.520889
H -1.032770 -2.158865 -0.805811
H 1.039084 0.448528 1.584320
H -0.888993 0.714733 -1.391875
H 4.746744 0.218048 -0.970889
H 5.841544 1.023308 0.225483
H 5.011253 2.009081 -1.049508
H -4.726048 2.281059 1.426365
H -4.620255 0.496623 1.129168
H -5.634429 1.534798 0.046369


