%chk=000274225.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274225

0 1
S 3.353755 1.764712 -1.405718
P -0.501774 -0.816125 -1.190021
O -1.619090 0.258292 -1.771975
O -1.143657 -1.285117 0.262449
O -0.224460 -1.933600 -2.085581
O -4.679787 0.372205 -0.595339
O -4.255609 -0.841243 1.146285
N -3.971292 -0.003051 0.315708
N 0.802823 0.281571 -0.757420
C -2.604268 0.718450 0.488009
C -2.116887 1.258240 -0.875659
C -1.585672 -0.243010 1.140425
C -2.879727 1.890422 1.432139
C 1.961416 -0.213038 -0.100931
C 3.202120 0.441107 -0.268918
C 1.888721 -1.312499 0.785771
C 4.339892 0.004858 0.413457
C 3.032109 -1.736299 1.458728
C 4.259899 -1.084726 1.280869
C 3.220156 3.227065 -0.346087
H -2.967553 1.680315 -1.467402
H -1.347075 2.043130 -0.735994
H -0.710820 0.310936 1.538936
H -2.057240 -0.829463 1.966771
H -3.619994 2.591972 1.017774
H -3.269319 1.553767 2.405735
H -1.969387 2.470117 1.637673
H 0.993091 1.072237 -1.419003
H 0.953061 -1.849676 0.956921
H 5.294972 0.513859 0.264056
H 2.968559 -2.591812 2.134107
H 5.143970 -1.432022 1.809714
H 4.051322 3.284659 0.365281
H 2.281397 3.244579 0.214170
H 3.261449 4.111888 -0.994431


%chk=000274225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274225

0 1
S 3.187815 1.919118 -1.314196
P -0.518785 -1.014207 -1.109121
O -1.568160 0.189653 -1.802274
O -1.191643 -1.237863 0.487192
O -0.441920 -2.370326 -1.904306
O -4.617880 0.416169 -0.720729
O -4.272571 -0.573898 1.299947
N -3.909769 0.166568 0.317713
N 0.905372 -0.037450 -0.861981
C -2.524892 0.906349 0.456768
C -2.009511 1.312377 -0.941885
C -1.545187 -0.008126 1.226283
C -2.826598 2.175379 1.290609
C 2.078968 -0.429090 -0.166934
C 3.239176 0.396989 -0.262853
C 2.134442 -1.608001 0.623768
C 4.426982 0.035090 0.406316
C 3.325319 -1.951745 1.294702
C 4.477817 -1.138672 1.191162
C 2.597885 3.170312 -0.014146
H -2.810861 1.791054 -1.524210
H -1.169709 2.021032 -0.794938
H -0.630307 0.575214 1.451719
H -2.006100 -0.372441 2.156078
H -3.541512 2.830224 0.763338
H -3.257259 1.901217 2.268494
H -1.896401 2.743926 1.465367
H 1.057508 0.745501 -1.519743
H 1.255599 -2.256512 0.706893
H 5.310000 0.673865 0.299286
H 3.353125 -2.867866 1.894607
H 5.403347 -1.416855 1.704585
H 3.364274 3.272670 0.767783
H 1.645643 2.835176 0.425772
H 2.460894 4.127869 -0.540568


