%chk=000179971.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179971

0 1
S 0.365323 -1.431576 -0.328593
O -4.279313 0.017422 -1.019154
O -1.025762 -2.897226 1.100425
O -2.424389 -4.251353 -0.022666
N -2.633132 -0.808105 0.325133
N 1.556678 4.072401 -0.794211
C -2.513731 2.050327 1.279460
C -1.920665 2.681887 0.012213
C -3.798543 1.268111 0.991440
C -0.496761 3.190225 0.262072
C -2.271381 -1.860412 -0.642733
C -3.609794 0.145832 -0.008609
C 0.101478 3.811950 -1.010188
C -1.047364 -1.494640 -1.482852
C -1.972363 -3.147151 0.137428
C 1.535198 -0.347644 -1.221621
C 2.724092 -0.248406 -0.322489
C 3.500657 -1.386469 -0.048587
C 3.075851 0.986830 0.244504
C 4.611925 -1.287646 0.792325
C 4.190321 1.077766 1.081789
C 4.958799 -0.057277 1.359644
H -2.732011 2.841899 2.024910
H -1.764397 1.391714 1.763837
H -1.912001 1.944052 -0.815086
H -2.571540 3.507266 -0.335954
H -4.581636 1.950992 0.590993
H -4.221148 0.859606 1.933175
H -0.489684 3.927005 1.087266
H 0.152295 2.354474 0.601917
H -3.159548 -2.053374 -1.322681
H -1.939838 -0.625520 1.057078
H -0.470621 4.720713 -1.296392
H 0.011127 3.100046 -1.861387
H -0.862912 -2.243692 -2.275526
H -1.196745 -0.523527 -1.990136
H 1.077126 0.640055 -1.422106
H 1.800677 -0.789285 -2.200418
H 1.694227 4.729005 -0.031294
H 1.966192 4.493804 -1.623149
H 3.237064 -2.347894 -0.487388
H 2.486623 1.882545 0.024684
H -0.751119 -3.715474 1.601354
H 5.209389 -2.172236 1.005378
H 4.460389 2.038014 1.517633
H 5.824668 0.016668 2.013560


%chk=000179971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179971

0 1
S 0.243749 -1.102735 0.053434
O -3.811053 0.237293 -1.465500
O -2.328876 -3.180100 1.591270
O -1.854242 -4.386452 -0.338989
N -2.957291 -0.953206 0.330069
N 1.636342 4.194701 -0.412358
C -2.635854 2.028444 1.213567
C -1.904462 2.706941 0.032996
C -3.922474 1.263849 0.780472
C -0.496212 3.210968 0.416150
C -2.395014 -1.992553 -0.533914
C -3.590386 0.152010 -0.215236
C 0.226598 3.893539 -0.762186
C -1.076936 -1.551325 -1.233836
C -2.169202 -3.310204 0.205003
C 1.569230 -0.424715 -1.160665
C 2.877222 -0.212372 -0.435236
C 3.736794 -1.313717 -0.179534
C 3.262724 1.082476 0.000172
C 4.963342 -1.128192 0.493834
C 4.493055 1.264706 0.674401
C 5.345941 0.165112 0.923498
H -2.913524 2.789346 1.969439
H -1.937538 1.325391 1.710436
H -1.807250 1.984313 -0.800831
H -2.522461 3.542821 -0.354772
H -4.624181 1.953147 0.280677
H -4.426777 0.847147 1.674192
H -0.565856 3.920356 1.268901
H 0.119159 2.355781 0.757849
H -3.118309 -2.187572 -1.350212
H -2.765181 -1.010793 1.331656
H -0.359027 4.792297 -1.073722
H 0.231604 3.202282 -1.628340
H -0.700040 -2.375686 -1.862726
H -1.293805 -0.665395 -1.852526
H 1.175125 0.515969 -1.579335
H 1.661081 -1.178124 -1.961845
H 1.723612 4.756175 0.443362
H 2.173736 4.611237 -1.181455
H 3.437213 -2.317058 -0.506268
H 2.619302 1.957048 -0.182158
H -2.126529 -4.047097 2.035172
H 5.619100 -1.985940 0.682005
H 4.782533 2.269647 1.002887
H 6.298719 0.311944 1.445199


