%chk=000298639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298639

0 1
S -1.576511 0.239083 -1.230478
O 1.968686 3.360888 -0.208612
O -0.692792 -0.893148 -0.977003
O -1.879063 0.603897 -2.601303
O 1.355900 -2.464769 0.243419
O 0.007034 -1.276698 1.625719
N 3.643742 1.815776 -0.317737
N -0.894301 1.652563 -0.536605
C 1.377485 1.107630 0.357189
C -0.039997 1.533140 0.663513
C 1.844782 -0.175703 0.449602
C 2.268783 2.186631 -0.060099
C 4.092399 0.499496 -0.200046
C 3.206438 -0.485985 0.180271
C -3.034454 0.009780 -0.336088
C 4.574757 2.894065 -0.733488
C 5.523434 0.194749 -0.492594
C 0.931836 -1.307843 0.839467
C -4.228667 0.570661 -0.801431
C -3.019289 -0.734548 0.847655
C -5.411279 0.390403 -0.078847
C -4.202101 -0.913872 1.571697
C -5.395674 -0.350402 1.108768
C 0.426573 -3.585274 0.298229
H -0.019491 2.537296 1.163054
H -0.508949 0.833971 1.400140
H -0.554314 2.384150 -1.179421
H 3.528805 -1.525920 0.250811
H 4.029874 3.864224 -0.771063
H 4.980860 2.703284 -1.739709
H 5.402209 3.004395 -0.015077
H 6.208797 0.750938 0.165222
H 5.790693 0.437915 -1.533218
H 5.751405 -0.874352 -0.353818
H -4.240500 1.144236 -1.734983
H -2.081753 -1.185184 1.210829
H -6.341627 0.825572 -0.439549
H -4.190266 -1.491029 2.495037
H -6.317864 -0.489171 1.674094
H 1.010977 -4.398397 -0.141375
H -0.444982 -3.324855 -0.318750
H 0.138903 -3.786994 1.333274


%chk=000298639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298639

0 1
S -1.523398 0.715558 -1.290492
O 1.761572 3.266104 -0.144619
O -0.613456 -0.643829 -1.332497
O -1.857496 1.549745 -2.648728
O 1.637845 -2.687064 0.623124
O 0.044782 -1.442815 1.756822
N 3.542637 1.748624 -0.410392
N -0.842859 1.975890 -0.114354
C 1.396862 0.983751 0.548426
C 0.003425 1.422314 0.981107
C 1.912156 -0.317555 0.586098
C 2.206394 2.070233 -0.004656
C 4.053284 0.452449 -0.345703
C 3.249035 -0.573770 0.133598
C -3.147228 0.269256 -0.435736
C 4.356728 2.864780 -0.945422
C 5.467834 0.210462 -0.815734
C 1.088799 -1.482230 1.058299
C -4.292767 0.984149 -0.818769
C -3.141501 -0.760474 0.519539
C -5.515019 0.642633 -0.195535
C -4.374438 -1.079798 1.136230
C -5.552569 -0.381635 0.780686
C 0.853112 -3.901145 0.946722
H 0.097950 2.262685 1.695649
H -0.531558 0.605109 1.483804
H -0.330353 2.686559 -0.677311
H 3.635563 -1.591965 0.153446
H 3.746046 3.776147 -0.862421
H 4.607768 2.691522 -2.006181
H 5.286519 2.982145 -0.363817
H 6.204523 0.782714 -0.220947
H 5.605377 0.499949 -1.874214
H 5.711426 -0.858813 -0.721110
H -4.226213 1.762896 -1.585448
H -2.218696 -1.294892 0.768854
H -6.431284 1.174879 -0.471651
H -4.410031 -1.872598 1.890772
H -6.502916 -0.639235 1.261051
H 1.462730 -4.735638 0.573721
H -0.120048 -3.860263 0.429599
H 0.689959 -3.976235 2.034888


