%chk=000290586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290586

0 1
S 2.455551 0.964335 0.828588
O -0.512336 -2.390832 1.814445
O 1.389100 1.216523 1.789539
O 3.826605 1.109636 1.282429
O -4.237987 1.578825 -1.181806
N 2.281855 2.024425 -0.528885
C 1.186196 -1.472260 0.370889
C 0.039631 -1.145263 1.325070
C 2.249523 -0.600988 0.110922
C -1.102800 -0.458578 0.617837
C 1.155391 -2.727872 -0.263955
C 3.265656 -0.991699 -0.778996
C 2.163300 -3.106480 -1.147485
C 3.227207 -2.233681 -1.409679
C -1.417563 0.873761 0.948672
C -1.877887 -1.146201 -0.322690
C 0.886055 2.197501 -1.001328
C 3.004686 3.313462 -0.382631
C -2.472316 1.523218 0.321435
C -2.947936 -0.515513 -0.965748
C -3.231149 0.814953 -0.635231
C -5.121463 0.950386 -2.141481
H 0.390422 -0.549099 2.209310
H 0.325946 -3.407807 -0.044757
H 4.106021 -0.316427 -0.979426
H 2.126027 -4.082028 -1.634004
H 4.019193 -2.524773 -2.097366
H -0.815017 1.400203 1.702194
H -1.650267 -2.189883 -0.547757
H 0.436774 1.211594 -1.219391
H 0.881681 2.764371 -1.948537
H 0.229561 2.726471 -0.288088
H 4.031690 3.125608 -0.010372
H 2.516068 4.030677 0.296625
H 3.101486 3.791128 -1.372812
H 0.023446 -2.721509 2.562817
H -2.735450 2.550477 0.560959
H -3.539737 -1.061166 -1.691279
H -5.813000 1.769286 -2.379372
H -5.651538 0.112845 -1.678713
H -4.560824 0.639974 -3.027442


%chk=000290586-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290586

0 1
S 2.568874 1.017415 0.818449
O -0.553654 -2.403530 1.969668
O 1.502673 1.338576 2.021876
O 4.163498 1.149918 1.129167
O -4.440409 1.565604 -1.053629
N 2.311725 2.103381 -0.754828
C 1.169398 -1.544560 0.416206
C 0.016535 -1.170583 1.369072
C 2.264277 -0.716384 0.073241
C -1.133714 -0.456374 0.669750
C 1.162177 -2.835273 -0.185026
C 3.299932 -1.105222 -0.798502
C 2.173783 -3.248438 -1.074493
C 3.248428 -2.384876 -1.388302
C -1.657745 0.743469 1.218013
C -1.734376 -0.985516 -0.496087
C 0.858570 2.269479 -1.017853
C 3.039892 3.387173 -0.568102
C -2.753361 1.392867 0.622623
C -2.838441 -0.349895 -1.105414
C -3.350776 0.845427 -0.540711
C -5.118015 1.021419 -2.232929
H 0.405551 -0.506641 2.161997
H 0.343984 -3.508174 0.091189
H 4.132302 -0.422396 -0.993581
H 2.129250 -4.249959 -1.516339
H 4.042678 -2.702841 -2.071097
H -1.189703 1.172000 2.110544
H -1.347866 -1.910636 -0.936596
H 0.369659 1.284375 -1.095076
H 0.769181 2.773397 -1.997915
H 0.329444 2.876139 -0.254047
H 4.031400 3.173585 -0.134468
H 2.503165 4.118110 0.072723
H 3.183429 3.824106 -1.573448
H 0.087798 -2.746697 2.645361
H -3.166187 2.316016 1.040412
H -3.285598 -0.789224 -2.002034
H -5.936808 1.724961 -2.443186
H -5.533176 0.015144 -2.029881
H -4.435973 0.972256 -3.104245


