%chk=000217089.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217089

0 1
S -2.008994 0.419359 2.380195
S 0.784977 -0.004860 0.163878
S -3.924151 -2.258597 1.312650
S 3.802625 -0.398017 -0.078436
P -2.754419 -0.816956 0.886489
O -1.296677 -1.195750 0.175527
O -3.334021 0.366265 -0.112872
N 1.294372 1.971692 1.745403
N 2.499295 1.481949 1.394047
C -1.151218 1.711679 1.397324
C -1.262409 -2.322129 -0.752937
C -4.411034 0.025628 -1.042188
C 0.254783 1.341878 1.208215
C -1.717829 -1.892211 -2.133562
C -4.635290 1.324018 -1.792404
C 2.441618 0.445744 0.558544
C 5.228674 0.440968 0.690817
C 6.362833 -0.497486 0.466820
C 7.243835 -0.359170 -0.523431
H -1.242872 2.652988 1.997735
H -1.670570 1.925891 0.432902
H -0.182567 -2.580323 -0.732122
H -1.836844 -3.180828 -0.354788
H -4.068278 -0.792768 -1.713048
H -5.305155 -0.286071 -0.467901
H -2.808009 -1.742617 -2.200770
H -1.244404 -0.945476 -2.432209
H -1.450248 -2.643871 -2.887552
H -4.886863 2.141188 -1.100650
H -3.732701 1.638232 -2.333105
H -5.453663 1.232073 -2.516113
H 5.041865 0.629449 1.769914
H 5.376656 1.438472 0.230616
H 6.429427 -1.321470 1.183419
H 8.068757 -1.041146 -0.678367
H 7.213196 0.439071 -1.252439


%chk=000217089-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217089

0 1
S -1.377605 -0.109616 1.888668
S 1.502569 -0.404977 -0.601403
S -3.701805 -2.864522 0.998347
S 4.632323 -0.467858 -0.819980
P -2.624704 -1.234622 0.339274
O -1.421560 -1.447054 -0.886787
O -3.510207 0.048531 -0.450795
N 1.806279 1.724892 0.989201
N 3.115007 1.348031 0.636399
C -0.591939 1.191147 0.700287
C -1.551871 -2.582705 -1.852827
C -4.723837 0.575667 0.243148
C 0.857141 0.955401 0.456915
C -2.577457 -2.288444 -2.947998
C -5.305162 1.647111 -0.674419
C 3.141093 0.282935 -0.174118
C 5.937257 0.753837 -0.078735
C 6.202108 0.499969 1.375162
C 7.374852 0.012824 1.855367
H -0.715406 2.157513 1.213202
H -1.198864 1.176618 -0.218545
H -0.528839 -2.668942 -2.254174
H -1.802943 -3.500679 -1.287497
H -5.430977 -0.259425 0.407198
H -4.421991 0.992001 1.224309
H -3.598908 -2.221586 -2.535056
H -2.342902 -1.340297 -3.460337
H -2.560682 -3.104533 -3.694734
H -4.579355 2.461460 -0.839106
H -5.577870 1.217094 -1.652869
H -6.214488 2.077118 -0.215361
H 5.508615 1.752950 -0.255572
H 6.821497 0.589185 -0.715997
H 5.382349 0.759245 2.056432
H 7.533685 -0.132006 2.929486
H 8.209290 -0.249468 1.192518


