%chk=000251006.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251006

0 1
S 3.791497 -0.615819 -0.411232
O 0.229555 -3.149074 0.642887
N 0.050475 2.732136 -0.513234
N 1.694502 1.619134 -1.683813
N 0.465056 1.715560 1.746064
N 2.288930 0.089358 1.695295
N 1.474403 -2.390550 -1.169594
N -0.589109 -1.348998 -0.526357
C -2.738317 1.505034 0.158695
C -2.431314 2.704926 -0.746055
C -3.759173 0.554582 -0.478818
C -1.195005 3.487719 -0.273436
C -3.936226 -0.714000 0.366191
C -4.887512 -1.714693 -0.303291
C 0.700397 1.904854 0.407437
C 1.739491 1.219263 -0.341448
C 0.686990 2.501527 -1.770001
C -5.016110 -2.998334 0.512579
C 2.515352 0.293739 0.387892
C 1.280296 0.804038 2.323388
C 3.560464 -2.289343 0.250563
C 2.697360 -3.098342 -0.718910
C 0.373578 -2.358221 -0.276424
H -1.804278 0.951168 0.388510
H -3.107881 1.857235 1.141973
H -2.290746 2.368653 -1.792284
H -3.302487 3.390298 -0.768783
H -4.733637 1.066991 -0.596076
H -3.439604 0.282705 -1.503123
H -1.124824 4.465714 -0.800998
H -1.267947 3.709610 0.820891
H -4.315661 -0.449608 1.372711
H -2.950246 -1.197314 0.546490
H -4.529984 -1.955989 -1.323356
H -5.886116 -1.253505 -0.435220
H 0.377946 3.018927 -2.669141
H -4.049424 -3.503123 0.632350
H -5.696703 -3.709147 0.030458
H -5.405740 -2.802837 1.518337
H 1.138514 0.596029 3.397210
H 4.559553 -2.747360 0.381317
H 3.105802 -2.259014 1.266891
H 3.273444 -3.369463 -1.633970
H 2.392214 -4.057382 -0.226859
H 1.660563 -1.559867 -1.744012
H -1.505154 -1.480701 -0.085844
H -0.639583 -0.902612 -1.429250


%chk=000251006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251006

0 1
S 3.615018 -0.404534 -1.309315
O 3.276565 -4.850988 1.422106
N -0.263156 2.736524 -0.494111
N 1.208610 1.811004 -2.006309
N 0.486477 1.571691 1.560907
N 2.357690 0.055015 1.121553
N 2.948447 -3.480577 -0.452076
N 1.132051 -4.602961 0.539434
C -3.123958 1.651945 0.000924
C -2.759790 3.089673 -0.429957
C -4.540087 1.235422 -0.455737
C -1.367074 3.552999 0.054000
C -4.916756 -0.202141 -0.031251
C -6.333198 -0.620867 -0.487311
C 0.536282 1.849736 0.229517
C 1.447991 1.286696 -0.723973
C 0.184709 2.666983 -1.821407
C -6.703159 -2.056842 -0.057179
C 2.384026 0.354078 -0.204636
C 1.430819 0.660474 1.931150
C 4.530119 -1.566404 -0.107217
C 4.342521 -3.042294 -0.507616
C 2.502426 -4.336617 0.556354
H -2.382341 0.939705 -0.413774
H -3.049543 1.569658 1.104343
H -2.821459 3.177368 -1.533738
H -3.504622 3.800442 -0.018481
H -5.285158 1.946036 -0.040176
H -4.611191 1.320817 -1.560535
H -1.191543 4.609400 -0.221491
H -1.294016 3.467685 1.152782
H -4.847301 -0.289800 1.073079
H -4.173654 -0.914870 -0.446497
H -6.401208 -0.534588 -1.591100
H -7.074638 0.092905 -0.073551
H -0.263954 3.265761 -2.611698
H -5.995232 -2.793106 -0.482783
H -7.719401 -2.332206 -0.393997
H -6.672262 -2.160875 1.043894
H 1.457807 0.379376 2.987247
H 5.591294 -1.271033 -0.148597
H 4.106541 -1.352858 0.888812
H 4.758838 -3.224524 -1.517256
H 4.896837 -3.675458 0.209810
H 2.288365 -3.027447 -1.086132
H 0.779346 -5.229115 1.257726
H 0.485525 -4.207382 -0.139137


