%chk=000217559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217559

0 1
S -6.400263 -1.079349 -1.211669
O 2.586640 -0.293967 0.181024
N -4.728231 -0.055675 0.624279
C 3.890146 -0.031583 -0.399555
C 4.723747 -1.223715 0.094531
C 4.424841 1.310767 0.125293
C 6.200939 -1.037398 -0.266543
C 5.904704 1.480838 -0.236448
C 6.742851 0.296632 0.266587
C 1.489301 0.428348 -0.425521
C -1.032758 0.481703 -0.267110
C 0.251991 -0.187313 0.230428
C -2.269156 -0.141828 0.391735
C -3.558465 0.529333 -0.111115
C -5.929006 0.836383 0.595098
C -5.131641 -1.374145 0.112141
C -6.746043 0.632122 -0.686769
H 3.803234 -0.026038 -1.506051
H 4.597397 -1.324148 1.191195
H 4.326121 -2.161261 -0.335556
H 3.830550 2.148121 -0.279430
H 4.288296 1.347167 1.224229
H 6.793426 -1.876273 0.144866
H 6.329093 -1.083104 -1.365136
H 6.015155 1.579191 -1.333487
H 6.289083 2.423961 0.195343
H 6.741276 0.283021 1.373782
H 7.797895 0.424366 -0.037905
H -0.998794 1.568002 -0.053453
H -1.104763 0.388823 -1.368572
H 1.599449 1.501088 -0.193967
H 1.507428 0.277111 -1.518027
H -2.298764 -1.230308 0.191495
H -2.208242 -0.047313 1.495090
H 0.234873 -1.277202 0.029268
H 0.342147 -0.100268 1.332359
H -3.515457 1.619353 0.103076
H -3.647249 0.426591 -1.214357
H -6.541883 0.580025 1.490735
H -5.625271 1.895682 0.719816
H -5.604840 -1.958462 0.928306
H -4.294283 -1.962707 -0.305633
H -7.828643 0.756293 -0.517884
H -6.451332 1.326735 -1.491186


%chk=000217559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217559

0 1
S -6.238512 -0.832896 -1.772801
O 2.632886 -0.337883 0.498858
N -4.873871 -0.150811 0.548484
C 3.913610 -0.103379 -0.194938
C 4.876502 -1.193295 0.304130
C 4.486519 1.309995 0.061472
C 6.274829 -1.043632 -0.342536
C 5.882428 1.464889 -0.594251
C 6.858884 0.369828 -0.102324
C 1.493041 0.398007 -0.061774
C -1.067635 0.479956 0.018876
C 0.215325 -0.228857 0.508768
C -2.353041 -0.193781 0.549897
C -3.630673 0.511381 0.053651
C -6.079345 0.711079 0.531643
C -5.224454 -1.370742 -0.134054
C -6.613825 0.828750 -0.939221
H 3.753242 -0.228548 -1.294148
H 4.956883 -1.105720 1.405860
H 4.443309 -2.187159 0.087332
H 3.797452 2.084967 -0.326668
H 4.566273 1.457886 1.157329
H 6.958101 -1.815966 0.059645
H 6.197539 -1.224523 -1.434999
H 5.780579 1.392871 -1.697505
H 6.288726 2.471687 -0.378017
H 7.043726 0.508085 0.983014
H 7.836623 0.472379 -0.611815
H -1.048768 1.543767 0.336349
H -1.088254 0.485443 -1.091379
H 1.549193 1.476105 0.206760
H 1.502785 0.321355 -1.173988
H -2.359612 -1.255694 0.231847
H -2.355003 -0.197236 1.656901
H 0.190923 -1.298617 0.224222
H 0.269058 -0.195592 1.614204
H -3.637674 1.550691 0.432834
H -3.623990 0.562445 -1.060785
H -6.856436 0.236007 1.158375
H -5.844707 1.700923 0.959033
H -5.927398 -1.981228 0.450725
H -4.352204 -1.954505 -0.456398
H -7.700931 1.005277 -0.959201
H -6.096603 1.625891 -1.498105


