%chk=000210586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210586

0 1
S 2.560059 0.259925 2.109646
P 2.733998 -0.096546 0.255504
O 1.496495 -1.019806 -0.392349
O 2.888140 1.115761 -0.822329
O 3.966175 -1.047664 -0.233078
O -2.031153 2.208724 -0.894685
N -2.514822 -0.009320 -0.605795
C -3.965658 0.344731 -0.654445
C -2.097779 -1.323659 -0.417567
C -4.579012 0.381424 0.754344
C -1.556756 1.100454 -0.726111
C -0.750837 -1.617517 -0.340389
C 0.201278 -0.564243 -0.446056
C -0.171009 0.738311 -0.642328
C -3.120697 -2.406196 -0.306363
C -6.056864 0.749936 0.692828
C 3.342612 2.425880 -0.353279
C 4.128999 -2.325280 0.476103
C 2.184570 3.219536 0.210716
C 5.371903 -2.903955 -0.170438
H -4.505485 -0.364476 -1.314971
H -4.055485 1.356312 -1.130857
H -4.030033 1.117947 1.378367
H -4.449466 -0.597490 1.259299
H -0.392634 -2.632810 -0.199862
H 0.531531 1.568968 -0.775399
H -3.668455 -2.546435 -1.251433
H -2.667365 -3.377556 -0.055782
H -3.866624 -2.190383 0.478907
H -6.208043 1.739881 0.242985
H -6.495216 0.785035 1.697879
H -6.638311 0.029501 0.107108
H 4.189022 2.326116 0.349116
H 3.708669 2.844321 -1.316598
H 4.269067 -2.136235 1.558369
H 3.232378 -2.947824 0.292769
H 2.345436 4.299019 0.100746
H 1.239300 2.981971 -0.315011
H 2.007899 3.025907 1.279559
H 5.597609 -3.904133 0.215808
H 5.251089 -2.976089 -1.261627
H 6.247473 -2.262744 0.002499


%chk=000210586-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210586

0 1
S 2.517316 0.303460 2.263833
P 2.693241 -0.098419 0.250058
O 1.400560 -0.984869 -0.532913
O 2.882488 1.212395 -0.838156
O 3.990837 -1.108450 -0.249749
O -2.287788 2.211870 -0.403665
N -2.700352 -0.106966 -0.542665
C -4.148337 0.233883 -0.529608
C -2.247985 -1.422640 -0.586025
C -4.707259 0.384802 0.904546
C -1.801898 1.035012 -0.458727
C -0.882015 -1.689258 -0.559669
C 0.041254 -0.600689 -0.498933
C -0.389369 0.716187 -0.458404
C -3.255048 -2.549609 -0.673631
C -6.204341 0.758073 0.886623
C 3.597404 2.455783 -0.391524
C 4.231102 -2.385458 0.494070
C 2.588643 3.576836 -0.147290
C 5.592979 -2.893417 0.032306
H -4.709590 -0.532829 -1.089755
H -4.248975 1.200986 -1.051657
H -4.127979 1.171273 1.420790
H -4.558023 -0.556555 1.469540
H -0.513648 -2.715205 -0.587694
H 0.301827 1.560466 -0.442635
H -3.793630 -2.541453 -1.640134
H -2.734096 -3.516083 -0.588788
H -4.010749 -2.495535 0.130170
H -6.366699 1.716187 0.359252
H -6.594821 0.870437 1.913698
H -6.810544 -0.016239 0.378457
H 4.192700 2.240421 0.515896
H 4.276225 2.678323 -1.231272
H 4.209979 -2.177284 1.581423
H 3.418278 -3.090018 0.238462
H 3.126814 4.521952 0.055785
H 1.950792 3.729398 -1.034791
H 1.946778 3.352095 0.721555
H 5.820758 -3.853278 0.531770
H 5.598786 -3.056599 -1.058454
H 6.386383 -2.169686 0.283703


