%chk=000276465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276465

0 1
S 1.321262 -0.522841 1.256415
O 1.282225 -1.677863 2.138571
O 0.657266 0.682688 1.707205
O -4.780791 0.005005 -0.846623
O 0.519842 2.029391 -0.179384
O -1.516958 1.863693 -1.118649
O -5.977414 -0.632474 2.886130
O -5.815146 1.114818 1.629018
N 0.546946 -1.106763 -0.183000
N -5.426399 0.028357 2.020392
C -0.470643 -2.179386 -0.018874
C 0.794422 -0.669581 -1.524788
C -1.775955 -1.599658 0.485943
C 2.928829 -0.215446 0.756324
C 0.370132 0.591975 -1.993763
C 1.452471 -1.545683 -2.412268
C -2.665008 -0.994329 -0.400729
C -2.086935 -1.679178 1.856890
C 3.895755 -1.218926 0.924775
C 3.303811 1.019555 0.214241
C -3.869530 -0.455821 0.082525
C 0.613482 0.968747 -3.322119
C 5.592672 0.243245 -0.006487
C 5.216492 -0.996223 0.545584
C 4.625286 1.249566 -0.167577
C -3.282314 -1.156458 2.334772
C -4.182771 -0.524088 1.453804
C 1.690226 -1.158457 -3.729944
C 1.273184 0.097617 -4.188489
C -0.358293 1.527648 -1.100440
C 7.009853 0.489474 -0.397452
C -4.711468 1.440527 -1.099804
H -0.074487 -2.944730 0.698849
H -0.634687 -2.716759 -0.981345
H 1.780090 -2.523679 -2.060133
H -2.447593 -0.912003 -1.466441
H -1.375834 -2.139107 2.550263
H 3.612472 -2.182242 1.367279
H 2.556469 1.817065 0.086566
H 0.277092 1.946220 -3.675530
H 5.960690 -1.778916 0.682787
H 4.905622 2.214423 -0.587461
H -3.534960 -1.228397 3.398026
H 2.205370 -1.839719 -4.409363
H 1.459779 0.391660 -5.220621
H 7.106768 1.242119 -1.192702
H 7.591163 0.859048 0.463371
H 7.513732 -0.420005 -0.754401
H -5.415479 1.553552 -1.930565
H -5.052747 1.980615 -0.207153
H -3.690581 1.723031 -1.385254
H 0.085189 2.373193 0.664928


%chk=000276465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276465

0 1
S 1.642018 1.443239 0.846302
O 1.320103 1.432128 2.440113
O 1.663763 2.795686 -0.051221
O -4.873958 0.323447 0.474872
O -0.171338 3.716518 -2.378699
O -1.452399 2.652703 -0.771489
O -5.814613 -3.721018 0.467136
O -6.568798 -1.660298 1.080684
N 0.234565 0.330330 0.049429
N -5.618655 -2.470189 0.764273
C -0.028432 -0.841034 0.909760
C 0.366763 0.209102 -1.361104
C -1.497033 -1.250170 0.813719
C 3.284054 0.555339 0.575641
C 0.085661 1.346530 -2.189322
C 0.803164 -0.997784 -1.976787
C -2.490863 -0.262166 0.664660
C -1.858979 -2.616299 0.917463
C 3.756076 -0.289596 1.593934
C 3.970311 0.777873 -0.630042
C -3.867873 -0.607137 0.643597
C 0.319747 1.263745 -3.584886
C 5.720620 -0.765460 0.177060
C 4.985629 -0.949997 1.379084
C 5.196637 0.103618 -0.817673
C -3.215392 -2.977509 0.885024
C -4.221151 -1.991671 0.762386
C 0.973015 -1.079523 -3.372197
C 0.753825 0.060858 -4.179750
C -0.567322 2.584099 -1.657298
C 7.057920 -1.453237 -0.023613
C -4.493438 1.745865 0.352208
H 0.179604 -0.511500 1.948077
H 0.625226 -1.715896 0.703592
H 1.011373 -1.876663 -1.359249
H -2.171564 0.776604 0.534337
H -1.089447 -3.388424 1.024825
H 3.197805 -0.401183 2.529281
H 3.572824 1.469240 -1.379755
H 0.129252 2.148325 -4.198682
H 5.382493 -1.609822 2.158971
H 5.755325 0.260031 -1.747404
H -3.532782 -4.021529 0.950620
H 1.293935 -2.023418 -3.825960
H 0.905665 0.009808 -5.262672
H 7.253591 -1.659761 -1.089940
H 7.884246 -0.814472 0.343779
H 7.111623 -2.407438 0.528099
H -5.450156 2.267517 0.211016
H -3.998232 2.097827 1.275457
H -3.823653 1.914130 -0.508420
H -0.628158 4.513132 -1.995934


