%chk=000250176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250176

0 1
S 2.313760 -1.675419 0.607353
S -4.136015 -1.737835 -1.355634
O 2.811805 -2.882937 -0.020793
O 2.185710 -1.610270 2.035520
O 0.217326 0.477391 0.670594
N 0.694894 -1.621052 -0.083827
N -1.505651 -0.735564 -0.341352
C 3.125088 -0.304911 -0.021802
C -2.547208 0.235284 -0.274657
C 2.947854 0.956162 0.558466
C 3.992548 -0.460362 -1.112973
C -0.185667 -0.540533 0.128885
C -3.837302 -0.134098 -0.713240
C -2.332323 1.543414 0.203681
C 3.637508 2.061948 0.048411
C 4.679241 0.642204 -1.621543
C -4.885317 0.788428 -0.688324
C 4.500198 1.904585 -1.039170
C -3.388423 2.451183 0.227991
C -4.664947 2.084056 -0.218674
C -4.726855 -2.647668 0.093427
H 0.366951 -2.455621 -0.589335
H 2.258639 1.084188 1.405910
H 4.136516 -1.450111 -1.563021
H -1.750770 -1.639148 -0.773571
H -1.341172 1.845311 0.560837
H 3.495604 3.043238 0.499887
H 5.353532 0.522784 -2.468208
H -5.877959 0.496116 -1.037782
H 5.037371 2.766571 -1.438150
H -3.216120 3.462419 0.600253
H -5.478536 2.805141 -0.198274
H -5.677935 -2.246381 0.460749
H -4.003760 -2.627761 0.915641
H -4.885985 -3.691053 -0.207973


%chk=000250176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250176

0 1
S 2.226710 -1.674988 0.550040
S -4.131751 -1.867847 -1.396117
O 2.713629 -3.037730 -0.193101
O 2.095055 -1.599422 2.157351
O 0.139453 0.618153 0.731490
N 0.567706 -1.458793 -0.242164
N -1.600650 -0.601497 -0.315719
C 3.256050 -0.225813 -0.088001
C -2.683982 0.310583 -0.259261
C 3.212000 0.989295 0.611644
C 4.061717 -0.478102 -1.209490
C -0.288237 -0.399007 0.111956
C -3.951515 -0.141470 -0.745033
C -2.568639 1.634612 0.243897
C 4.041728 2.030716 0.135631
C 4.879729 0.581138 -1.666341
C -5.062273 0.726180 -0.750437
C 4.866554 1.827489 -0.996483
C -3.694261 2.483931 0.242206
C -4.942108 2.044603 -0.255967
C -4.652576 -2.747662 0.205254
H 0.276986 -2.316443 -0.726771
H 2.551773 1.116394 1.473084
H 4.060568 -1.462916 -1.687403
H -1.854715 -1.492045 -0.770958
H -1.604005 1.969101 0.630176
H 4.037557 2.997848 0.648236
H 5.525516 0.428349 -2.536979
H -6.016305 0.362525 -1.145985
H 5.504742 2.642042 -1.355708
H -3.590144 3.502340 0.632776
H -5.808314 2.713858 -0.261251
H -5.622632 -2.350183 0.537054
H -3.889896 -2.598717 0.984147
H -4.742869 -3.816823 -0.042471


