%chk=000222111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222111

0 1
S 0.819798 2.836361 2.390536
S -2.472089 -0.148997 2.674383
O -3.589761 0.315334 3.476605
O -1.698433 -1.275780 3.118792
N 2.758042 -0.526591 -0.413540
N 0.066905 0.766927 0.979882
N -1.434613 1.281525 2.795688
N -4.051914 -0.619573 -2.971989
C 4.037847 0.022901 0.143750
C 3.019019 -1.402992 -1.605707
C 4.960623 -1.132016 0.567320
C 3.923175 -2.578097 -1.197695
C 5.245877 -2.075850 -0.606697
C 1.812710 0.574344 -0.800043
C 1.272512 1.258379 0.426104
C 1.802465 2.361310 1.037018
C -0.311013 1.484331 2.037131
C -2.916706 -0.282810 1.048678
C -2.104124 -0.987496 0.140524
C -4.114945 0.300131 0.597109
C -2.480107 -1.124402 -1.188841
C -4.512324 0.183004 -0.723995
C -3.687907 -0.532334 -1.635390
H 3.781801 0.629327 1.041346
H 4.566485 0.691693 -0.567729
H 3.476588 -0.851433 -2.454632
H 2.040757 -1.797603 -1.956506
H 4.478236 -1.698499 1.390746
H 5.901625 -0.724103 0.977379
H 4.107899 -3.227255 -2.071797
H 3.394730 -3.201007 -0.446741
H 5.839340 -1.555675 -1.381415
H 5.861145 -2.929893 -0.268448
H 0.958144 0.114949 -1.356418
H 2.266074 1.332739 -1.477883
H 2.689047 2.906244 0.775931
H -1.625750 1.961996 3.545969
H -1.162015 -1.439542 0.487301
H -4.749726 0.847483 1.306615
H -1.844202 -1.670559 -1.878428
H -5.438508 0.637695 -1.060921
H -4.961828 -0.321063 -3.275496
H -3.554683 -1.227306 -3.598595


%chk=000222111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222111

0 1
S 1.252973 3.623709 2.601541
S -1.551374 0.329888 2.524751
O -2.759230 0.345112 3.621427
O -0.078630 -0.272757 2.881382
N 2.533583 0.113522 -0.652922
N 0.552723 1.990277 0.574414
N -1.286566 2.341675 2.039610
N -3.609873 -2.198149 -2.559441
C 3.133037 -0.479881 0.572826
C 3.060054 -0.518847 -1.888669
C 2.863466 -1.996262 0.638169
C 2.774573 -2.034579 -1.894793
C 3.369797 -2.708264 -0.636687
C 2.661175 1.593742 -0.700501
C 1.907764 2.257878 0.429518
C 2.449992 3.134341 1.367299
C 0.003862 2.573362 1.636909
C -2.167118 -0.425641 0.947889
C -1.250073 -0.705182 -0.085813
C -3.546248 -0.691251 0.847940
C -1.743535 -1.303194 -1.256105
C -4.027319 -1.291667 -0.326555
C -3.133664 -1.605943 -1.396963
H 2.688559 0.012546 1.455204
H 4.240527 -0.295829 0.600415
H 4.167511 -0.357714 -1.987748
H 2.578614 -0.034408 -2.759892
H 1.774502 -2.155814 0.753881
H 3.352600 -2.412219 1.539383
H 3.191108 -2.484335 -2.816964
H 1.677191 -2.189012 -1.909723
H 4.477452 -2.646291 -0.679265
H 3.108140 -3.783035 -0.611729
H 2.236237 1.931579 -1.665569
H 3.729066 1.928880 -0.669599
H 3.463473 3.530109 1.403228
H -1.595729 2.833296 2.896841
H -0.189483 -0.441698 0.000222
H -4.215326 -0.449561 1.679885
H -1.050373 -1.527736 -2.075285
H -5.094961 -1.520316 -0.421730
H -4.596727 -2.413198 -2.670712
H -2.981557 -2.421335 -3.326167


