%chk=000281338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281338

0 1
S 3.031633 1.459402 0.157591
O 3.401646 2.678527 -0.536298
O 3.662279 1.124379 1.403084
N 3.461858 0.285303 -1.060158
N 2.433448 -1.470737 0.113232
N -2.882957 1.420569 0.709715
N -3.598192 0.425355 0.515644
N -6.316429 0.263476 -1.518094
N -5.852120 -1.030934 2.592525
C 1.315360 1.394371 0.299087
C 0.521945 2.148657 -0.575232
C 0.724315 0.607672 1.292404
C -0.867854 2.119877 -0.467181
C -0.668753 0.560645 1.414686
C 3.221806 -1.090488 -0.947973
C -1.450135 1.320351 0.533292
C 3.741646 -2.019423 -1.885652
C 3.442368 -3.366000 -1.706083
C 2.166364 -2.795354 0.256938
C 2.647447 -3.771178 -0.624771
C -5.074950 0.667999 0.754319
C -5.768283 0.431280 -0.517776
C -5.509450 -0.291020 1.777429
H 4.042467 0.587959 -1.854489
H 0.992531 2.776360 -1.343272
H 1.351559 0.016961 1.976256
H -1.489969 2.708771 -1.140983
H -1.132742 -0.059707 2.181190
H 4.359070 -1.689348 -2.714409
H 3.828130 -4.108401 -2.406914
H 1.540643 -3.060073 1.118398
H 2.410769 -4.819602 -0.471881
H -5.313151 1.724751 1.113276


%chk=000281338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281338

0 1
S 2.927868 1.249086 0.317460
O 3.429502 2.702322 -0.219428
O 3.446849 0.647188 1.727375
N 3.381284 0.181237 -1.139603
N 2.500685 -1.789600 -0.197191
N -3.147150 1.538433 0.313467
N -3.822509 0.643369 0.962451
N -6.465207 -1.116812 -0.434788
N -6.316367 1.368095 3.267601
C 1.036205 1.256343 0.304319
C 0.417136 2.300375 -0.398434
C 0.354359 0.273417 1.044407
C -0.992302 2.350934 -0.366564
C -1.049549 0.337068 1.073794
C 3.393406 -1.219556 -1.059182
C -1.717636 1.373893 0.361671
C 4.261097 -1.983344 -1.892691
C 4.165206 -3.386727 -1.839704
C 2.445190 -3.150192 -0.146948
C 3.243545 -3.992150 -0.950736
C -5.326627 0.942992 0.825196
C -5.970053 -0.200920 0.144064
C -5.886941 1.162641 2.175627
H 4.110124 0.668280 -1.678562
H 1.016663 3.047641 -0.926875
H 0.917275 -0.511113 1.556373
H -1.546187 3.134643 -0.891805
H -1.637450 -0.396957 1.632093
H 4.977275 -1.490700 -2.558110
H 4.812560 -4.000759 -2.474361
H 1.728396 -3.570291 0.567297
H 3.152218 -5.078848 -0.874681
H -5.466564 1.860410 0.214367


