%chk=000223291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223291

0 1
S 2.702010 1.832989 -0.498350
O 0.003558 1.172429 0.661502
O 3.490984 2.130691 -1.681028
O 2.842344 2.655249 0.671903
N -4.453720 0.259913 -0.243339
N -1.297230 2.211396 -0.938838
N 1.086571 2.068392 -1.144570
C -5.293179 -0.686675 -1.052324
C -4.342767 -0.379202 1.111646
C -5.137908 -2.103243 -0.455944
C -4.532827 -1.903495 0.945577
C -3.113993 0.499435 -0.867367
C -2.567875 1.821157 -0.283226
C -0.080140 1.773990 -0.402755
C 2.815604 0.170647 -0.123146
C 3.479130 -0.693790 -1.007978
C 2.280582 -0.333620 1.068777
C 3.071003 -2.554511 0.493809
C 3.607609 -2.045601 -0.706118
C 2.407964 -1.689737 1.377361
C 3.221554 -4.003530 0.814324
H -5.043053 -0.655336 -2.126934
H -6.342555 -0.332854 -0.954573
H -5.156579 0.054240 1.731368
H -3.388711 -0.132226 1.612650
H -6.108964 -2.621239 -0.406340
H -4.482465 -2.728846 -1.083477
H -3.571393 -2.434563 1.040758
H -5.190863 -2.307966 1.731152
H -3.233239 0.593323 -1.967184
H -2.389033 -0.324926 -0.696990
H -2.397696 1.719554 0.815742
H -3.305689 2.643338 -0.421629
H -1.361820 2.604706 -1.869423
H 1.003330 2.563187 -2.041397
H 3.904527 -0.299461 -1.939376
H 1.747239 0.335748 1.760905
H 4.125476 -2.710619 -1.394036
H 1.987031 -2.070309 2.306305
H 4.274532 -4.254535 1.017342
H 2.895538 -4.641444 -0.020332
H 2.644213 -4.310355 1.697152


%chk=000223291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223291

0 1
S 2.605254 1.830630 -0.414311
O -0.242305 1.168293 0.646276
O 3.552898 2.203623 -1.684707
O 2.665626 2.696816 0.948027
N -4.582759 0.346470 -0.211326
N -1.398251 2.228817 -1.091693
N 0.939362 1.973776 -1.207562
C -5.519900 -0.599785 -0.882033
C -4.335753 -0.302522 1.114046
C -5.044797 -2.044659 -0.504252
C -4.291623 -1.851259 0.853684
C -3.332594 0.618836 -0.966618
C -2.722448 1.964201 -0.500915
C -0.246406 1.764154 -0.473174
C 2.799786 0.000238 -0.025713
C 3.491726 -0.776646 -0.968895
C 2.310223 -0.491116 1.192463
C 3.224970 -2.696400 0.557312
C 3.696846 -2.138341 -0.661933
C 2.534850 -1.857944 1.471813
C 3.473931 -4.159032 0.877037
H -5.552497 -0.415158 -1.969446
H -6.536215 -0.424862 -0.478436
H -5.176351 -0.054599 1.789052
H -3.407750 0.080053 1.570809
H -5.894918 -2.744053 -0.417128
H -4.362818 -2.444710 -1.276023
H -3.249240 -2.208203 0.781462
H -4.774017 -2.405728 1.677743
H -3.580829 0.681713 -2.043196
H -2.560561 -0.177864 -0.848548
H -2.599223 1.951856 0.594899
H -3.409069 2.789972 -0.756313
H -1.346247 2.700966 -1.994454
H 1.000523 2.534663 -2.066110
H 3.867478 -0.324884 -1.892454
H 1.764333 0.160948 1.878720
H 4.235037 -2.773007 -1.375471
H 2.163239 -2.276073 2.413766
H 4.549686 -4.347094 1.055628
H 3.165022 -4.812183 0.040637
H 2.924880 -4.477601 1.778933


