%chk=000207319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207319

0 1
S 1.065428 2.494770 0.517186
O -1.926597 -1.298429 -0.527784
O -3.100662 0.579534 -0.075709
N 3.260480 -0.837569 -0.508184
N -1.640135 2.890188 0.547550
C 0.830023 -1.387043 -0.460723
C 0.582496 0.037827 -0.101450
C 2.238777 -1.822241 -0.015836
C 3.066827 0.535790 0.086848
C 1.625648 0.881876 0.138181
C -0.722217 0.658390 0.014168
C -0.629733 2.013146 0.349447
C 4.638274 -1.326864 -0.203794
C -2.009544 0.032026 -0.181671
C -3.184044 -2.022023 -0.721694
C -3.760161 -2.415143 0.623027
H 0.058697 -2.053179 -0.017095
H 0.721552 -1.499698 -1.563408
H 2.258780 -1.950000 1.087725
H 2.475884 -2.810238 -0.465946
H 3.614826 1.237966 -0.587455
H 3.515986 0.634019 1.102870
H 5.372029 -0.610941 -0.608391
H 4.801246 -2.280302 -0.732695
H 4.854943 -1.480947 0.863397
H -2.608470 2.572908 0.430048
H -1.481212 3.858818 0.759851
H -3.871810 -1.387159 -1.308894
H -2.835182 -2.884118 -1.317983
H -4.618725 -3.086711 0.512201
H -3.014251 -2.919411 1.249869
H -4.101954 -1.527742 1.177745


%chk=000207319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207319

0 1
S 1.085596 2.557585 0.513716
O -2.004042 -1.313047 -0.530742
O -3.122558 0.689431 -0.090355
N 3.321667 -0.823257 -0.456324
N -1.673753 2.874458 0.463076
C 0.911210 -1.470749 -0.337847
C 0.611013 -0.011161 -0.054054
C 2.357465 -1.818950 0.073864
C 3.123674 0.517687 0.148503
C 1.656425 0.851319 0.172588
C -0.704775 0.628537 0.016271
C -0.623609 2.011159 0.320657
C 4.725164 -1.259374 -0.350935
C -2.020851 0.045606 -0.189584
C -3.335766 -1.957286 -0.734769
C -3.913403 -2.451960 0.594864
H 0.198051 -2.119071 0.200419
H 0.769097 -1.674458 -1.415894
H 2.418725 -1.891472 1.191727
H 2.629687 -2.809250 -0.335215
H 3.686997 1.257546 -0.455114
H 3.544120 0.565598 1.190820
H 5.384716 -0.508577 -0.823539
H 4.857847 -2.214791 -0.888581
H 5.070708 -1.403437 0.705328
H -2.605417 2.448455 0.327903
H -1.546144 3.861533 0.668213
H -4.010853 -1.228718 -1.216100
H -3.116476 -2.788529 -1.424698
H -4.857431 -2.999199 0.413076
H -3.209864 -3.135945 1.100790
H -4.130022 -1.602183 1.263337


