%chk=000208206.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208206

0 1
S -6.321124 -0.481010 -0.813066
P -6.009381 -1.950370 0.597350
O 3.483387 0.050810 -2.407483
O 3.435260 1.523084 1.982867
O -6.830018 -1.445196 1.954210
O -7.115694 -3.074087 0.123689
O -4.612849 -2.349017 0.845882
N -2.982879 1.964311 -0.742733
N 3.191884 1.003778 -0.288084
C -4.337999 1.437982 -0.371500
C -1.820965 1.082306 -0.425273
C -0.525808 1.871672 -0.684650
C 0.704092 1.026810 -0.338286
C -4.607997 0.092994 -1.101100
C 1.993976 1.826620 -0.578615
C -5.352303 2.501958 -0.828957
C -4.401778 1.260087 1.152706
C 3.821724 0.144008 -1.257069
C 3.796596 0.906195 1.015951
C 4.932774 -0.533457 -0.503995
C 4.917845 -0.081007 0.845376
C 5.864940 -1.449264 -0.940087
C 5.835068 -0.542608 1.763751
C 6.808422 -1.926607 0.001561
C 6.793872 -1.484795 1.319104
H -1.873577 0.790600 0.647529
H -1.817578 0.137635 -1.011533
H -2.955710 2.239744 -1.729207
H -0.480255 2.198039 -1.741584
H -0.539298 2.803557 -0.082141
H 0.657437 0.696996 0.719163
H 0.715952 0.099508 -0.945471
H -4.510484 0.206642 -2.197881
H -3.859137 -0.673081 -0.804964
H 2.053647 2.168063 -1.638071
H 2.022782 2.729934 0.074214
H -6.361592 2.286591 -0.458368
H -5.413943 2.588342 -1.917493
H -5.074641 3.491153 -0.437998
H -3.962779 2.137222 1.652366
H -5.432221 1.179473 1.512276
H -3.837560 0.386584 1.497989
H 5.879985 -1.798208 -1.973402
H 5.827291 -0.198009 2.798607
H 7.555051 -2.653393 -0.322542
H 7.529087 -1.864312 2.030538
H -6.309332 -1.320270 2.785327
H -7.846573 -3.273805 0.776095


%chk=000208206-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208206

0 1
S -6.508977 -0.505511 -0.891714
P -5.906467 -2.001115 0.692758
O 3.560097 0.151436 -2.444397
O 3.347960 1.318294 2.113134
O -6.619330 -1.592462 2.231116
O -6.993391 -3.282446 0.343401
O -4.340353 -2.282512 0.775429
N -3.031899 1.941427 -0.788952
N 3.177219 0.931683 -0.228850
C -4.430417 1.537493 -0.461009
C -1.889376 1.080173 -0.407447
C -0.562632 1.835827 -0.629135
C 0.669374 0.968139 -0.293395
C -4.753514 0.205046 -1.203071
C 1.986220 1.751203 -0.497584
C -5.355742 2.669425 -0.962482
C -4.585997 1.375348 1.070961
C 3.865913 0.180193 -1.226058
C 3.759157 0.766200 1.062003
C 4.980835 -0.517222 -0.506130
C 4.917212 -0.166236 0.864830
C 5.969280 -1.383648 -0.995089
C 5.840455 -0.670492 1.792510
C 6.908270 -1.900461 -0.064091
C 6.844771 -1.549361 1.308196
H -1.984647 0.825020 0.663581
H -1.847532 0.112771 -0.962718
H -2.954104 2.279059 -1.758465
H -0.500811 2.165006 -1.688664
H -0.572091 2.754204 -0.010702
H 0.612485 0.622787 0.756885
H 0.681712 0.066741 -0.936420
H -4.722388 0.344282 -2.298784
H -4.052242 -0.598952 -0.915762
H 2.061216 2.104239 -1.542160
H 2.020089 2.623689 0.179784
H -6.416722 2.409027 -0.799686
H -5.210563 2.850201 -2.045803
H -5.130419 3.606034 -0.424314
H -4.178036 2.269580 1.572102
H -5.655257 1.282954 1.333793
H -4.047712 0.485202 1.446450
H 6.008339 -1.647304 -2.056599
H 5.781923 -0.392294 2.849415
H 7.694286 -2.581082 -0.408342
H 7.582718 -1.964120 2.003195
H -6.076492 -0.981058 2.791503
H -7.314825 -3.762202 1.151777


