%chk=000229810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229810

0 1
S 2.846877 -0.265971 -0.375556
O 3.286034 -1.638625 -0.548787
O 3.136481 0.720583 -1.400970
O -3.649864 -0.417058 1.584523
N -3.907656 -0.258380 -0.668641
N -5.325164 -0.274373 -0.635589
C 1.113201 -0.284949 -0.130900
C 3.447674 0.332145 1.174717
C 0.352817 0.830968 -0.484701
C 0.498348 -1.425383 0.388026
C 4.965408 0.409883 1.127951
C -1.643698 -0.318192 0.241703
C -1.033354 0.821023 -0.296567
C -0.886863 -1.444762 0.584391
C -3.124445 -0.338395 0.487266
H 3.031048 1.329561 1.421327
H 3.133866 -0.317146 2.016922
H 0.835858 1.711475 -0.925233
H 1.093658 -2.313702 0.630258
H 5.373649 0.778664 2.078410
H 5.422873 -0.574443 0.943134
H 5.318946 1.093380 0.340496
H -1.628337 1.695066 -0.562206
H -1.372244 -2.326703 1.005903
H -3.534339 -0.227770 -1.618448
H -5.652384 -1.130060 -0.162117
H -5.664089 0.506666 -0.053914


%chk=000229810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229810

0 1
S 2.924606 -0.341751 -0.348220
O 3.460969 -1.889625 -0.364176
O 3.230831 0.703777 -1.573304
O -3.736551 -1.319913 1.255215
N -4.014759 0.115501 -0.549570
N -5.434347 0.094595 -0.489300
C 1.038741 -0.392060 -0.115255
C 3.608815 0.479263 1.284959
C 0.288704 0.683528 -0.614962
C 0.470416 -1.521461 0.497025
C 5.127635 0.556976 1.173299
C -1.730999 -0.490430 0.146282
C -1.115824 0.628466 -0.475490
C -0.932923 -1.557121 0.634810
C -3.223069 -0.602175 0.342552
H 3.104825 1.458485 1.316978
H 3.246221 -0.186505 2.084445
H 0.789842 1.519578 -1.114411
H 1.104513 -2.351671 0.825685
H 5.538922 1.013024 2.092640
H 5.568455 -0.448183 1.059253
H 5.431575 1.178073 0.313394
H -1.715329 1.476608 -0.824323
H -1.433585 -2.400444 1.120499
H -3.624593 0.562379 -1.379917
H -5.776588 -0.877898 -0.493157
H -5.762202 0.582486 0.356446


