%chk=000231855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231855

0 1
S 3.495681 1.305854 0.065365
O -3.459292 0.008058 1.423623
O 4.683589 1.833249 -0.575369
O 2.924709 1.955010 1.221144
N -3.170644 0.093753 -0.850831
N 2.343551 1.315394 -1.216368
C -5.441031 -0.437755 0.066683
C -5.567291 -1.616764 -0.906960
C -6.124048 0.817585 -0.491390
C -6.051366 -0.815303 1.422491
C -3.941033 -0.100398 0.312028
C -1.776182 0.424592 -0.891178
C 0.953149 1.049619 -1.085639
C -1.130768 0.388151 -2.144037
C -1.052354 0.795232 0.257259
C 0.222882 0.697270 -2.241033
C 0.298376 1.114721 0.159530
C 3.712767 -0.372845 0.402538
C 4.765419 -1.067434 -0.204270
C 2.851728 -1.034350 1.283788
C 4.951743 -2.426226 0.062712
C 3.035991 -2.394583 1.550954
C 4.084626 -3.089235 0.939125
H -5.280108 -1.356949 -1.930077
H -6.604965 -1.972428 -0.951788
H -4.952554 -2.468600 -0.590625
H -5.730773 1.115639 -1.467926
H -6.003780 1.673495 0.186126
H -7.202111 0.655361 -0.612297
H -5.587571 -1.719882 1.835428
H -7.128123 -0.991147 1.346979
H -5.888883 -0.022736 2.167220
H -3.616686 -0.028767 -1.760130
H -1.679556 0.116377 -3.043497
H -1.552616 0.839175 1.233338
H 2.649273 1.609247 -2.152193
H 0.713100 0.660902 -3.211281
H 0.827187 1.455956 1.057669
H 5.450658 -0.545132 -0.882080
H 2.034815 -0.492234 1.773330
H 5.771397 -2.966879 -0.408213
H 2.363214 -2.909788 2.235780
H 4.228779 -4.150402 1.147271


%chk=000231855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231855

0 1
S 3.625296 1.406401 0.208226
O -3.836885 1.134085 1.162431
O 5.062190 1.871122 -0.396501
O 3.001139 1.997159 1.586306
N -2.988123 -0.064777 -0.660757
N 2.316429 1.898433 -1.217182
C -5.373100 -0.425152 0.046523
C -5.395355 -1.502133 -1.067970
C -6.405818 0.692141 -0.286400
C -5.743689 -1.077315 1.409270
C -4.000114 0.281791 0.238831
C -1.660195 0.432506 -0.742895
C 1.016235 1.357460 -1.056655
C -0.829499 -0.094129 -1.772534
C -1.136913 1.421447 0.139698
C 0.497654 0.340379 -1.911473
C 0.179508 1.881946 -0.029272
C 3.654156 -0.485595 0.379652
C 4.611563 -1.196656 -0.363778
C 2.725797 -1.086450 1.246426
C 4.631380 -2.604163 -0.227747
C 2.759680 -2.495900 1.363503
C 3.705295 -3.248716 0.627440
H -5.196077 -1.076360 -2.071624
H -6.401981 -1.954901 -1.113835
H -4.683184 -2.327114 -0.869396
H -6.183594 1.171711 -1.257766
H -6.388405 1.469543 0.495668
H -7.422631 0.261182 -0.337973
H -5.048534 -1.898185 1.666069
H -6.767332 -1.492214 1.362229
H -5.700650 -0.324714 2.213958
H -3.234132 -0.767075 -1.361427
H -1.223883 -0.856452 -2.456895
H -1.777011 1.824728 0.925721
H 2.804553 1.576647 -2.075640
H 1.133095 -0.090894 -2.695027
H 0.580441 2.662780 0.623572
H 5.332507 -0.664436 -0.993402
H 2.025614 -0.473281 1.822519
H 5.372110 -3.191504 -0.780408
H 2.054599 -2.999343 2.032991
H 3.728759 -4.339203 0.728723


