%chk=000279692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279692

0 1
S 1.315937 -1.044864 -0.787632
O 0.515544 -2.230721 -0.462218
O 2.155448 -1.048178 -1.961357
O -0.904106 -1.172946 -2.196639
O -5.418110 -0.473602 2.247988
N 2.316055 -0.756377 0.591295
C 0.224671 0.358466 -0.712391
C 2.534699 -1.933508 1.484723
C 3.571562 0.005838 0.315225
C 3.147058 -1.473742 2.818278
C 4.203673 0.478808 1.635282
C 4.450620 -0.699232 2.586011
C -1.120075 -0.006805 -1.406838
C 0.850607 1.575736 -1.323945
C -2.239278 -0.178032 -0.407575
C 1.021707 2.732698 -0.547006
C 1.249353 1.580240 -2.670989
C -3.275169 0.773658 -0.367193
C -2.267019 -1.269397 0.469711
C 1.585063 3.879831 -1.112928
C 1.811717 2.729587 -3.229634
C 1.979527 3.881760 -2.453994
C -4.321710 0.643764 0.536803
C -3.309502 -1.427376 1.385612
C -4.328511 -0.466330 1.408541
C -5.554795 -1.579678 3.173237
H 0.002971 0.573360 0.371449
H 3.194349 -2.694240 1.009698
H 1.549882 -2.425249 1.666303
H 3.319726 0.889283 -0.315659
H 4.303699 -0.604281 -0.261966
H 2.422408 -0.831715 3.357004
H 3.327654 -2.352306 3.464407
H 5.150211 1.008596 1.421147
H 3.534912 1.215982 2.122068
H 4.852818 -0.333183 3.548727
H 5.222954 -1.371614 2.165891
H -1.371288 0.759938 -2.182858
H 0.715843 2.741496 0.497806
H 1.142004 0.673661 -3.278022
H -1.037613 -2.023571 -1.684840
H -3.260606 1.623526 -1.051717
H -1.458806 -2.014621 0.440014
H 1.714444 4.774476 -0.506058
H 2.122797 2.724404 -4.273985
H 2.416770 4.776091 -2.893551
H -5.132023 1.367462 0.584424
H -3.316172 -2.281785 2.053692
H -4.716344 -1.593710 3.875110
H -5.647758 -2.522944 2.627189
H -6.492999 -1.327956 3.685260


%chk=000279692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279692

0 1
S 1.729603 -0.311745 -0.913403
O 1.057755 -1.740995 -1.427893
O 3.168613 0.121928 -1.539773
O -1.013866 -0.445858 -2.574746
O -3.598179 -1.418611 3.332870
N 1.915230 -0.291046 1.015343
C 0.297766 1.228847 -1.243220
C 1.205811 -1.456093 1.623891
C 3.362894 -0.270384 1.385689
C 1.216967 -1.235807 3.157658
C 3.427754 -0.005826 2.910559
C 2.662223 -1.100914 3.689078
C -1.065333 0.527210 -1.487266
C 0.861799 2.114036 -2.292450
C -1.710032 -0.028072 -0.207734
C 1.785826 3.127738 -1.911737
C 0.507766 1.979675 -3.665705
C -1.860894 0.787130 0.947376
C -2.238466 -1.336744 -0.176695
C 2.327352 4.003502 -2.872947
C 1.050078 2.859884 -4.623249
C 1.959324 3.872134 -4.232849
C -2.491245 0.298893 2.105006
C -2.873007 -1.846753 0.979470
C -2.994421 -1.027016 2.127948
C -4.163315 -2.768815 3.398019
H 0.391171 1.647022 -0.228726
H 1.703287 -2.417801 1.369431
H 0.171806 -1.493487 1.246493
H 3.869445 0.525724 0.816071
H 3.865581 -1.234560 1.149363
H 0.639163 -0.320390 3.385919
H 0.695172 -2.086207 3.636410
H 4.491147 0.028978 3.215631
H 2.984365 0.986105 3.121016
H 2.653412 -0.868251 4.770485
H 3.189521 -2.069805 3.570851
H -1.726987 1.330115 -1.876908
H 2.076376 3.225932 -0.858554
H -0.180023 1.179674 -3.959062
H -0.317103 -1.140347 -2.324369
H -1.497470 1.822394 0.947100
H -2.159203 -1.957797 -1.073351
H 3.036385 4.780885 -2.568726
H 0.771739 2.753135 -5.677391
H 2.381776 4.550235 -4.982881
H -2.613846 0.922348 2.995868
H -3.266709 -2.867365 0.967196
H -3.383838 -3.540484 3.244385
H -4.970152 -2.903980 2.651737
H -4.578220 -2.857673 4.412668


