%chk=000243991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243991

0 1
S 0.168155 1.630741 -2.299984
P 0.033337 0.953628 -0.471731
N 0.093457 -0.807148 -0.380345
N -1.432098 1.462667 0.286953
N 1.267924 1.583637 0.580217
C -1.180450 -1.489748 -0.768470
C 1.245362 -1.363659 -1.163400
C -2.351395 2.412014 -0.380939
C -1.763214 1.105316 1.684167
C 2.276288 2.528408 0.043840
C 1.631838 0.885160 1.835321
C -1.520931 -2.621474 0.220748
C 1.760769 -2.659107 -0.510129
C -3.492899 1.726028 -1.155141
C -2.999393 0.197552 1.830637
C 3.402466 1.950889 -0.830743
C 2.807608 -0.102250 1.773669
C -0.327980 -3.449222 0.711729
C 0.706560 -3.763981 -0.378012
C -4.139588 0.539550 -0.430721
C -4.246300 0.699140 1.092268
C 4.047088 0.655959 -0.326913
C 4.093861 0.500068 1.197638
H -1.112859 -1.913125 -1.798615
H -2.056900 -0.786823 -0.796657
H 2.103656 -0.638055 -1.198423
H 0.972480 -1.563927 -2.226641
H -1.795947 3.083250 -1.080244
H -2.787977 3.083104 0.396211
H -1.934500 2.044943 2.263145
H -0.890993 0.594547 2.169466
H 2.732463 3.049655 0.919639
H 1.746948 3.323204 -0.538703
H 0.727613 0.348980 2.228289
H 1.870961 1.677967 2.586537
H -2.264726 -3.286144 -0.259796
H -2.032116 -2.172468 1.105682
H 2.165697 -2.405397 0.498508
H 2.617964 -3.033894 -1.102145
H -3.111797 1.382575 -2.139273
H -4.259971 2.490816 -1.384578
H -3.229774 0.098135 2.909541
H -2.745589 -0.831832 1.485669
H 4.179272 2.734528 -0.935848
H 3.021053 1.784285 -1.861728
H 2.513879 -1.007430 1.193621
H 3.004923 -0.470680 2.799923
H -0.702959 -4.393385 1.150982
H 0.170114 -2.902404 1.538431
H 1.213831 -4.718234 -0.135880
H 0.203176 -3.929989 -1.348997
H -3.546196 -0.377611 -0.660122
H -5.145478 0.362703 -0.856395
H -4.442695 1.756734 1.352002
H -5.127343 0.134220 1.455533
H 5.075077 0.588977 -0.733781
H 3.497972 -0.209928 -0.768017
H 4.947048 -0.153328 1.468014
H 4.305029 1.476560 1.673890


%chk=000243991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243991

0 1
S 0.433944 1.484625 -2.625656
P 0.103806 0.698270 -0.698530
N 0.051617 -1.079648 -0.556153
N -1.444081 1.245950 -0.036421
N 1.416580 1.077625 0.400160
C -1.251645 -1.748870 -0.824945
C 1.201976 -1.740248 -1.250884
C -2.301169 2.174016 -0.811517
C -1.620553 1.317027 1.435462
C 1.965144 2.454544 0.349351
C 1.797557 0.267855 1.580012
C -1.633339 -2.822464 0.223608
C 1.647341 -3.067105 -0.601751
C -3.662704 1.588130 -1.253895
C -2.951222 0.718550 1.948793
C 3.331531 2.594173 -0.366669
C 3.273917 -0.196863 1.598362
C -0.482327 -3.751429 0.689767
C 0.545296 -4.137339 -0.404857
C -4.442891 0.792221 -0.170760
C -4.244250 1.267505 1.292051
C 4.350296 1.462969 -0.069349
C 4.338151 0.908115 1.380080
H -1.209861 -2.208516 -1.835900
H -2.045786 -0.981220 -0.848844
H 2.053831 -1.035820 -1.257436
H 0.928740 -1.914277 -2.315875
H -1.740887 2.499893 -1.709210
H -2.468768 3.074413 -0.182021
H -1.562172 2.384387 1.751232
H -0.782702 0.790633 1.925181
H 2.049029 2.807455 1.398869
H 1.237470 3.118543 -0.156381
H 1.142656 -0.621914 1.611448
H 1.605053 0.869738 2.498821
H -2.445872 -3.431716 -0.224088
H -2.066671 -2.326268 1.114576
H 2.102234 -2.854963 0.386459
H 2.453492 -3.481088 -1.242114
H -3.506474 0.939455 -2.138000
H -4.277393 2.444391 -1.600865
H -2.987843 0.903940 3.042922
H -2.930379 -0.380915 1.811356
H 3.758361 3.574099 -0.067263
H 3.152573 2.634027 -1.457272
H 3.421014 -0.974042 0.822419
H 3.445506 -0.688927 2.579269
H -0.931715 -4.667747 1.121647
H 0.069536 -3.259773 1.515376
H 1.039728 -5.084953 -0.112593
H 0.029441 -4.341518 -1.365749
H -4.154149 -0.276916 -0.217985
H -5.520834 0.825003 -0.425556
H -4.261261 2.375875 1.345689
H -5.104497 0.917384 1.896710
H 5.363402 1.838094 -0.315683
H 4.159316 0.617437 -0.759385
H 5.331349 0.470503 1.604523
H 4.193358 1.732393 2.109365


