%chk=000208212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208212

0 1
S 0.065945 -3.244202 0.124288
S 6.079548 1.896162 0.382227
P 7.739353 0.745458 0.744093
O -4.361747 -1.910608 1.380681
O -2.510547 0.657309 -1.997075
O 7.062476 -0.564069 1.509915
O 7.995775 0.112073 -0.767863
O 8.924464 1.307051 1.412140
N -3.211865 -0.886048 -0.384203
N 3.302916 -0.900779 -0.655623
C -2.193706 -1.936862 -0.634688
C -4.997025 0.308987 0.523624
C -4.424618 1.102879 -0.510035
C -1.189615 -1.996424 0.513091
C -4.226350 -0.976977 0.634982
C -3.265062 0.359145 -1.109540
C 1.312348 -2.323302 -0.820061
C 2.305009 -1.679935 0.145249
C -6.085065 0.750752 1.243850
C -4.937712 2.341517 -0.826876
C 4.293823 -0.197316 0.219471
C -6.614651 2.023695 0.921052
C -6.055494 2.798858 -0.087700
C 5.033568 0.804586 -0.662801
H -1.692470 -1.705466 -1.605735
H -2.717922 -2.915585 -0.752143
H -0.731936 -1.010772 0.714686
H -1.683772 -2.313490 1.457940
H 0.846327 -1.562288 -1.477438
H 1.804181 -3.052902 -1.493647
H 1.780336 -0.968516 0.823729
H 2.775873 -2.449941 0.796901
H -6.527449 0.145282 2.036133
H -4.502308 2.952869 -1.618512
H 3.800308 -1.530792 -1.295916
H 3.746728 0.332485 1.032938
H 5.003832 -0.896068 0.723809
H -7.476468 2.392972 1.479576
H -6.477559 3.777620 -0.322063
H 4.321105 1.483377 -1.180951
H 5.629647 0.311696 -1.457231
H 7.627299 -1.050371 2.163560
H 8.926479 -0.121960 -1.014033


%chk=000208212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208212

0 1
S -0.061707 -3.625408 0.361849
S 5.776027 2.093250 0.365581
P 7.779475 1.053066 0.397955
O -5.035187 -2.164786 0.501843
O -1.761286 0.807922 -1.118573
O 7.353139 -0.479763 1.071908
O 8.084064 0.447687 -1.214075
O 8.984149 1.869127 1.030615
N -3.183069 -0.943095 -0.362593
N 3.277968 -1.193000 -0.300973
C -2.249260 -2.063830 -0.554796
C -5.066825 0.310491 0.195190
C -4.082737 1.205318 -0.293148
C -1.320922 -2.248504 0.664902
C -4.505086 -1.079096 0.160895
C -2.861058 0.415680 -0.653651
C 1.283689 -2.631481 -0.532114
C 2.229576 -1.918728 0.449911
C -6.326680 0.764737 0.611939
C -4.325974 2.583876 -0.380883
C 4.086370 -0.223150 0.471447
C -6.582771 2.158601 0.527911
C -5.597961 3.054083 0.039122
C 4.732714 0.759830 -0.518565
H -1.651460 -1.856286 -1.459199
H -2.843963 -2.977888 -0.719731
H -0.771228 -1.319238 0.888938
H -1.892162 -2.551270 1.557516
H 0.806915 -1.904110 -1.210193
H 1.823605 -3.375439 -1.144984
H 1.656270 -1.174933 1.035960
H 2.630722 -2.661307 1.179473
H -7.079463 0.064082 0.986397
H -3.558656 3.265688 -0.760595
H 3.869787 -1.834861 -0.846047
H 3.404626 0.330408 1.143064
H 4.875482 -0.686300 1.102775
H -7.555029 2.550764 0.844782
H -5.824502 4.124276 -0.014103
H 3.967196 1.327913 -1.073153
H 5.393356 0.252853 -1.242649
H 8.030658 -1.189743 0.918489
H 8.585199 1.072664 -1.798636


