%chk=000276218.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276218

0 1
S -0.692367 -1.078482 -1.353213
O -2.587765 -3.290900 -1.349198
O -2.222184 -2.765042 0.802221
N -3.910542 -0.482714 0.467458
C 0.318045 0.080668 -0.345576
C -0.416625 0.356532 0.952567
C 0.349718 1.443471 -1.015387
C -0.777115 1.737000 1.029647
C -0.302766 2.410198 -0.188657
C 1.663573 -0.580078 -0.237043
C -0.756914 -0.517352 1.971344
C 0.897505 1.814962 -2.230707
C -1.465003 2.229500 2.128243
C -0.402194 3.733792 -0.588791
C -2.318004 -0.290851 -1.526750
C 2.341763 -0.622459 0.992040
C 2.275241 -1.141545 -1.370447
C -1.453466 -0.011128 3.085525
C 0.791879 3.160463 -2.633247
C -1.799372 1.337275 3.163535
C 0.153961 4.102390 -1.827711
C -3.324225 -1.132366 -0.728207
C 3.593663 -1.229676 1.092040
C 3.526181 -1.752767 -1.269939
C 4.196284 -1.804819 -0.037934
C -2.636341 -2.426371 -0.278462
C 5.526861 -2.474347 0.073234
H -0.518826 -1.583870 1.907468
H 1.403007 1.090163 -2.867101
H -1.736203 3.279871 2.196455
H -0.892191 4.474692 0.037951
H -2.570059 -0.284633 -2.606281
H -2.299110 0.768008 -1.208858
H 1.896198 -0.172962 1.881047
H 1.786018 -1.107203 -2.345833
H -1.726452 -0.692194 3.892136
H 1.220018 3.463774 -3.587906
H -2.335318 1.709856 4.035940
H 0.085390 5.139051 -2.155072
H -4.188959 -1.412886 -1.399672
H 4.103104 -1.256104 2.053425
H 3.981805 -2.191508 -2.155505
H 5.405011 -3.536247 0.335883
H 6.094605 -2.436538 -0.865906
H 6.159026 -2.020172 0.848016
H -4.160689 0.482052 0.270790
H -3.254362 -0.477201 1.251211
H -2.121405 -4.141606 -1.132769


%chk=000276218-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276218

0 1
S -0.718387 -1.366063 -1.057011
O -4.227100 -2.435991 -2.564489
O -3.642437 -3.583302 -0.629767
N -3.530825 -1.197166 0.795855
C 0.391997 0.001881 -0.179504
C -0.263455 0.403797 1.139321
C 0.350484 1.312489 -0.976647
C -0.685727 1.765118 1.092604
C -0.293652 2.332867 -0.214519
C 1.799382 -0.603626 -0.073799
C -0.493899 -0.378516 2.284521
C 0.849870 1.586208 -2.260527
C -1.349779 2.348672 2.194426
C -0.444534 3.634017 -0.740403
C -2.341114 -0.440773 -1.362812
C 2.609201 -0.338830 1.060801
C 2.366845 -1.356055 -1.135051
C -1.151291 0.207946 3.394291
C 0.697639 2.891937 -2.789336
C -1.579786 1.559995 3.346637
C 0.054840 3.906308 -2.035671
C -3.578119 -1.103267 -0.658017
C 3.934987 -0.816707 1.132030
C 3.690516 -1.836726 -1.054742
C 4.501136 -1.579579 0.079854
C -3.811300 -2.500903 -1.227538
C 5.915396 -2.124392 0.175748
H -0.177148 -1.426432 2.311373
H 1.349550 0.806010 -2.843397
H -1.679144 3.393315 2.165593
H -0.933548 4.424051 -0.159434
H -2.498812 -0.392609 -2.453131
H -2.219779 0.585803 -0.977350
H 2.205563 0.251454 1.889713
H 1.762159 -1.581577 -2.020132
H -1.337226 -0.387746 4.294625
H 1.081346 3.121441 -3.789600
H -2.092871 1.995400 4.211273
H -0.052603 4.910593 -2.460530
H -4.445958 -0.487412 -0.974421
H 4.539498 -0.592699 2.019695
H 4.100431 -2.422339 -1.886931
H 5.923367 -3.129368 0.641171
H 6.380434 -2.221862 -0.821111
H 6.559762 -1.472782 0.791931
H -3.202896 -0.352459 1.270881
H -3.076658 -2.050902 1.134820
H -4.335958 -3.359520 -2.919289


