%chk=000185274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185274

0 1
S -2.941835 0.472365 -0.707381
O -1.178493 0.971803 1.177921
N -0.647740 -0.829575 -0.177682
C 0.584898 -1.263868 0.569426
C 1.762741 -0.390358 0.164472
C -1.001322 -1.648734 -1.371671
C 0.373457 -1.266779 2.083173
C -1.421499 0.223400 0.253400
C 2.818982 -0.963637 -0.559001
C 1.813955 0.967971 0.505655
C -1.919222 -2.813693 -1.011725
C 3.917460 -0.184170 -0.932956
C 2.912569 1.744447 0.128545
C 3.966311 1.170566 -0.590122
C -3.610339 1.991027 0.065534
C -5.065713 1.748164 0.388831
H 0.787075 -2.326966 0.253247
H -1.463662 -1.007508 -2.159034
H -0.055195 -2.026791 -1.825678
H 1.279999 -1.598387 2.601988
H -0.450500 -1.926214 2.376683
H 0.128785 -0.262298 2.469434
H 2.792005 -2.016661 -0.830881
H 0.986481 1.419897 1.063553
H -1.471291 -3.474550 -0.260893
H -2.876958 -2.465601 -0.599281
H -2.149477 -3.419270 -1.895883
H 4.735536 -0.633511 -1.492530
H 2.945846 2.799560 0.395443
H 4.821275 1.776734 -0.882238
H -3.016971 2.235659 0.975986
H -3.472793 2.825817 -0.646648
H -5.660184 1.503384 -0.501562
H -5.198560 0.923886 1.104319
H -5.519221 2.641093 0.842654


%chk=000185274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185274

0 1
S -3.064908 0.525853 -1.088054
O -1.353022 1.127095 0.994812
N -0.752701 -0.759254 -0.271263
C 0.433797 -1.150069 0.580570
C 1.697751 -0.364725 0.206459
C -0.954226 -1.580155 -1.493339
C 0.134906 -1.138210 2.097020
C -1.547554 0.318342 0.045011
C 2.789736 -1.040386 -0.393629
C 1.809838 1.028178 0.462046
C -1.763377 -2.867518 -1.230478
C 3.973747 -0.346436 -0.735837
C 2.990002 1.721776 0.117876
C 4.076127 1.039354 -0.481068
C -3.815898 2.029274 -0.213289
C -4.801048 1.630621 0.892912
H 0.612211 -2.207295 0.302763
H -1.453628 -0.966479 -2.262935
H 0.048466 -1.825617 -1.891593
H 0.987409 -1.597596 2.628710
H -0.774264 -1.727105 2.315484
H -0.014621 -0.118345 2.479036
H 2.718461 -2.118768 -0.588487
H 0.968612 1.559033 0.919796
H -1.273658 -3.503291 -0.470127
H -2.778724 -2.620497 -0.876465
H -1.853113 -3.457952 -2.160801
H 4.809534 -0.884342 -1.197588
H 3.064107 2.796878 0.317467
H 4.990922 1.582130 -0.744824
H -2.959413 2.589359 0.197222
H -4.292226 2.612489 -1.019048
H -5.628419 1.014770 0.498840
H -4.282233 1.058880 1.681123
H -5.236193 2.537211 1.356777


