%chk=000253346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253346

0 1
S 3.669751 -0.243375 -1.279983
S -3.670048 -0.246003 1.279552
S 6.599578 -0.242051 -2.129507
S -6.599877 -0.246378 2.129067
N 1.437824 -0.244822 -0.072164
N -1.438117 -0.245072 0.071738
N 5.816710 -0.244476 0.373382
N -5.817000 -0.244104 -0.373820
C 0.692184 0.988060 0.340072
C 0.692250 -1.478496 0.337786
C -0.692574 0.988650 -0.338151
C -0.692446 -1.477905 -0.340558
C 2.835534 -0.245200 0.375683
C -2.835826 -0.244708 -0.376112
C 5.344912 -0.243448 -0.844399
C -5.345207 -0.245330 0.843963
C 7.844448 -0.242919 -0.903114
C -7.844743 -0.245008 0.902669
C 7.240053 -0.244215 0.385254
C -7.240343 -0.243876 -0.385697
C 9.226155 -0.242505 -1.056782
C -9.226451 -0.244935 1.056332
C 8.040113 -0.245110 1.537911
C -8.040398 -0.242654 -1.538356
C 10.012068 -0.243400 0.097723
C -10.012359 -0.243708 -0.098175
C 9.424251 -0.244684 1.376617
C -9.424538 -0.242583 -1.377067
H 1.264586 1.879607 0.001751
H 0.569730 1.063892 1.443352
H 0.569700 -1.556332 1.440922
H 1.264722 -2.369391 -0.002094
H -1.265047 1.879507 0.001865
H -0.570126 1.066591 -1.441285
H -0.569890 -1.553634 -1.443839
H -1.264847 -2.369490 -0.002372
H 3.157709 0.645762 0.951904
H 3.157820 -1.137337 0.949986
H -3.158058 0.647297 -0.950685
H -3.158051 -1.135803 -0.952064
H 9.683931 -0.241509 -2.044354
H -9.684230 -0.245800 2.043903
H 7.577636 -0.246101 2.523459
H -7.577918 -0.241787 -2.523903
H 11.097753 -0.243102 0.010288
H -11.098045 -0.243616 -0.010745
H 10.067788 -0.245357 2.256602
H -10.068071 -0.241640 -2.257055


%chk=000253346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253346

0 1
S 3.147313 -0.252769 -1.186760
S -3.147593 -0.250117 1.186309
S 6.113521 -0.242835 -2.247141
S -6.113808 -0.245485 2.246707
N 1.082531 -0.253301 0.956487
N -1.082818 -0.249881 -0.956944
N 5.433628 -0.246085 0.373458
N -5.433917 -0.243195 -0.373894
C 0.308216 0.987119 0.716389
C 0.306175 -1.492018 0.714218
C -0.306491 0.988861 -0.714663
C -0.308473 -1.490275 -0.716858
C 2.467522 -0.254296 0.835651
C -2.467809 -0.248882 -0.836103
C 4.893041 -0.247286 -0.830252
C -4.893327 -0.246080 0.829811
C 7.419555 -0.239052 -0.985059
C -7.419849 -0.241101 0.984632
C 6.843153 -0.241471 0.329045
C -6.843447 -0.240373 -0.329473
C 8.813767 -0.234404 -1.178075
C -8.814065 -0.238530 1.177656
C 7.691239 -0.239180 1.461609
C -7.691537 -0.237016 -1.462032
C 9.645822 -0.232142 -0.034295
C -9.646124 -0.235187 0.033882
C 9.087976 -0.234519 1.271812
C -9.088278 -0.234443 -1.272227
H 0.972538 1.858638 0.845513
H -0.503383 1.049466 1.466380
H -0.505604 -1.554285 1.464024
H 0.969008 -2.364886 0.841917
H -0.969380 1.861694 -0.842293
H 0.505272 1.051165 -1.464478
H 0.503142 -1.552585 -1.466839
H -0.972739 -2.361831 -0.846052
H 2.962168 0.655919 1.195406
H 2.960519 -1.166075 1.193707
H -2.960912 0.662826 -1.194192
H -2.962349 -1.159169 -1.195825
H 9.249921 -0.232584 -2.181652
H -9.250219 -0.239073 2.181235
H 7.247537 -0.241065 2.461771
H -7.247834 -0.236475 -2.462195
H 10.733621 -0.228536 -0.161984
H -10.733926 -0.233147 0.161576
H 9.752419 -0.232718 2.142572
H -9.752725 -0.231832 -2.142982


