%chk=000237856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237856

0 1
S 3.951627 -1.285353 0.735868
O -3.091085 -0.551743 0.811876
O -6.244291 0.710818 -1.479234
O -5.922061 1.632744 1.362710
O -4.481183 -1.381317 -1.485848
O -4.600410 0.690432 3.828736
O 4.409756 -2.662982 0.655342
O 4.209094 -0.521866 1.926989
N -1.702967 -1.027856 -0.983835
N 4.878926 -0.610047 -0.590027
N 3.756535 1.453299 -0.491055
C -5.022155 0.859803 -0.767039
C -5.275216 0.522730 0.725427
C -3.943452 -0.060841 -1.386211
C -3.956415 0.361210 1.518830
C -2.670875 -0.057423 -0.498469
C -4.162335 -0.294634 2.896305
C -0.381889 -1.082351 -0.483080
C 0.408353 -2.201764 -0.850457
C 0.179319 -0.040357 0.283519
C 2.312976 -1.201076 0.273122
C 1.742809 -2.245834 -0.472157
C 1.521613 -0.107178 0.650601
C 4.780144 0.710675 -1.035848
C 5.670936 1.240406 -2.007381
C 5.499057 2.561847 -2.403231
C 3.624801 2.741317 -0.900659
C 4.467722 3.333581 -1.849463
H -4.778272 1.941720 -0.890414
H -5.934237 -0.368833 0.815224
H -3.731402 0.208207 -2.447790
H -3.451982 1.349012 1.636852
H -2.227572 0.960695 -0.382317
H -3.198875 -0.651752 3.315547
H -4.882273 -1.130248 2.867454
H -2.111686 -1.911456 -1.310014
H -6.376857 -0.239359 -1.742601
H -6.752658 1.858186 0.877648
H -4.506355 -1.802550 -0.585050
H -5.396976 1.164829 3.474714
H -0.020186 -3.017092 -1.427799
H -0.422404 0.805533 0.603988
H 2.355892 -3.113315 -0.749829
H 1.961978 0.705007 1.246993
H 5.637631 -1.176317 -0.993264
H 6.466737 0.631164 -2.421869
H 6.168759 3.000385 -3.144607
H 2.804311 3.301644 -0.436069
H 4.327795 4.367700 -2.145528


%chk=000237856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237856

0 1
S 4.060634 -1.464139 0.274234
O -3.173705 -0.550572 1.032979
O -6.432109 0.399669 -1.444211
O -6.176577 1.650590 1.208010
O -4.687330 -1.836102 -1.083656
O -4.691337 1.742657 3.569730
O 4.607879 -2.956664 -0.088877
O 4.379908 -0.786937 1.710414
N -1.896285 -1.398654 -0.820222
N 4.842262 -0.509722 -1.133250
N 3.899206 1.555513 -0.503364
C -5.142804 0.578879 -0.765330
C -5.345071 0.527171 0.762528
C -4.119316 -0.476680 -1.236000
C -3.992417 0.596408 1.503371
C -2.806999 -0.377786 -0.428269
C -4.142974 0.499452 3.031015
C -0.523924 -1.399929 -0.528062
C 0.295491 -2.426584 -1.081896
C 0.067822 -0.396341 0.293619
C 2.227578 -1.408234 -0.063793
C 1.681142 -2.439352 -0.847412
C 1.456396 -0.390076 0.517567
C 4.894589 0.887768 -1.161273
C 5.915630 1.557810 -1.900106
C 5.873433 2.962216 -1.970643
C 3.895466 2.916278 -0.570588
C 4.847051 3.666992 -1.293794
H -4.803203 1.591919 -1.049353
H -5.844562 -0.432334 1.029195
H -3.934402 -0.370367 -2.317976
H -3.485024 1.555973 1.259041
H -2.352265 0.629524 -0.536128
H -3.151292 0.371479 3.493885
H -4.773405 -0.377935 3.293017
H -2.311874 -2.240613 -1.225718
H -6.585977 -0.581430 -1.519261
H -6.977735 1.692927 0.623412
H -4.620208 -2.070720 -0.116391
H -5.494454 1.978044 3.026359
H -0.156058 -3.208655 -1.703100
H -0.556694 0.354112 0.785219
H 2.323121 -3.229537 -1.248762
H 1.936338 0.378906 1.128682
H 5.634693 -1.061014 -1.487836
H 6.706748 0.990218 -2.400789
H 6.640469 3.502002 -2.536110
H 3.091256 3.414575 -0.017136
H 4.791595 4.758692 -1.316369


