%chk=000246559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246559

0 1
S -2.477873 1.314584 -0.456844
O 3.105551 -1.105410 -1.131158
O -1.320610 -0.706717 -2.472532
O -2.320645 -1.761727 -0.756269
O 2.060092 -1.320181 0.910751
N 0.943024 -0.521513 -0.974308
C -0.355487 -0.338534 -0.304662
C -0.705031 1.141537 -0.128291
C -3.263457 0.731576 1.084587
C -4.708115 0.613732 0.722489
C -1.461419 -1.008105 -1.143116
C 2.034460 -1.009059 -0.263504
C 4.382901 -1.516344 -0.538641
C 5.079966 -0.319687 0.040850
C -5.175271 -0.548956 0.087200
C -5.601147 1.657106 1.012097
C -6.525784 -0.665508 -0.247189
C -6.951661 1.532869 0.674102
C 6.047166 0.366171 -0.707006
C 4.762769 0.111701 1.337817
C -7.416274 0.373141 0.046268
C 6.701844 1.470813 -0.153965
C 5.418449 1.216700 1.885150
C 6.389966 1.895500 1.141407
H -0.328394 -0.859697 0.701698
H -0.411294 1.516922 0.867664
H -0.180067 1.787839 -0.864817
H -3.082925 1.444995 1.908906
H -2.839865 -0.245061 1.396121
H 1.018052 -0.274236 -1.962444
H 4.194944 -2.308700 0.211566
H 4.888578 -1.941463 -1.426787
H -4.477741 -1.358695 -0.150092
H -5.245483 2.564735 1.495825
H -6.885552 -1.568485 -0.738148
H -7.642643 2.343145 0.900231
H 6.287977 0.044359 -1.718931
H 3.992954 -0.414850 1.910809
H -8.468342 0.278660 -0.214626
H 7.454463 2.001575 -0.734522
H 5.172162 1.549277 2.892361
H 6.901939 2.755132 1.570652
H -2.042579 -1.103741 -3.033494


%chk=000246559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246559

0 1
S -2.643183 1.066853 -1.274819
O 3.251181 -1.236347 -0.994404
O -0.728283 -1.182356 -3.628112
O -2.045617 -2.357761 -2.110085
O 1.625552 -1.266816 0.723824
N 1.075658 -0.869205 -1.524318
C -0.365323 -0.717904 -1.292349
C -0.777057 0.779559 -1.298859
C -3.090645 0.157720 0.360226
C -4.523688 0.461210 0.723764
C -1.155996 -1.515807 -2.334350
C 1.946954 -1.131991 -0.487057
C 4.328240 -1.443961 0.036746
C 4.869085 -0.129327 0.555088
C -5.566967 -0.408936 0.314482
C -4.852795 1.622355 1.470614
C -6.910596 -0.127587 0.649241
C -6.194613 1.904437 1.807592
C 5.988286 0.482444 -0.064644
C 4.264656 0.504548 1.672106
C -7.228272 1.029468 1.397692
C 6.495269 1.709368 0.418657
C 4.770556 1.731176 2.155840
C 5.886800 2.336018 1.531221
H -0.584587 -1.160216 -0.307114
H -0.315017 1.283854 -0.433333
H -0.436617 1.263818 -2.229530
H -2.382744 0.522903 1.123667
H -2.938662 -0.919430 0.185729
H 1.444558 -0.758821 -2.470674
H 3.901068 -2.058684 0.847428
H 5.089586 -2.012250 -0.520023
H -5.321849 -1.305846 -0.267068
H -4.054128 2.305328 1.784485
H -7.706377 -0.809423 0.329053
H -6.434645 2.802279 2.388203
H 6.461852 -0.003102 -0.927026
H 3.394422 0.035008 2.144447
H -8.269786 1.247186 1.659759
H 7.361939 2.172815 -0.065822
H 4.298999 2.212807 3.019720
H 6.281031 3.286023 1.909531
H -1.258646 -1.686007 -4.302321


