%chk=000004167.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004167

0 1
 S    2.513600      -1.055200      -1.605500    
 N   -4.214600      0.6988000     -0.8378000    
 C   -1.840600      0.5240000     -0.1324000    
 C  -0.4194000      0.9972000     -0.4320000    
 C   -2.235400      0.8744000       1.306500    
 C   -2.840200       1.132100      -1.130800    
 C   0.5956000      0.3276000      0.5031000    
 C   -3.688800      0.4946000       1.569000    
 C   -4.619800       1.097100      0.5168000    
 C   0.5330000      -1.183600      0.3610000    
 C    1.979300      0.9195000      0.2975000    
 C   -5.144300       1.240000      -1.829400    
 C    1.329600      -1.883100     -0.5606000    
 C    2.891200      0.3882000     -0.6294000    
 C  -0.3849000      -1.901900       1.148100    
 C    2.343400       2.064500       1.028400    
 C    1.199900      -3.274400     -0.6797000    
 C    4.139700       1.001300     -0.8096000    
 C  -0.5028000      -3.286000       1.027600    
 C    3.589300       2.664000      0.8477000    
 C   0.2894000      -3.971800      0.1134000    
 C    4.486800       2.132700     -7.1900003E-02
 H   -1.924000     -0.5573000     -0.2801000    
 H  -0.3642000       2.089400     -0.3283000    
 H  -0.1774000      0.7795000      -1.481000    
 H   -2.135000       1.960000       1.446500    
 H   -1.620000      0.4286000       2.084500    
 H   -2.768800       2.228300      -1.114400    
 H   -2.564600      0.8057000      -2.141800    
 H   0.3602000      0.5513000       1.550600    
 H   -3.787700     -0.5983000       1.569800    
 H   -3.987200      0.8435000       2.564300    
 H   -5.637800      0.7423000      0.7193000    
 H   -4.630200       2.190600      0.6165000    
 H   -6.161200      0.8778000      -1.641400    
 H   -4.873000      0.9023000      -2.835800    
 H   -5.162100       2.335900      -1.826100    
 H  -0.9863000      -1.428500       1.911400    
 H    1.650200       2.501900       1.743500    
 H    1.807800      -3.832800      -1.388300    
 H    4.858100      0.6049000      -1.524000    
 H   -1.205000      -3.828600       1.653700    
 H    3.855600       3.547200       1.420700    
 H   0.2004000      -5.049900      1.7800000E-02
 H    5.456800       2.599000     -0.2173000    


%chk=000004167-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004167

0 1
S 2.198582 -0.834859 -1.863440
N -4.263756 0.753014 -0.864184
C -1.926949 0.559080 0.030842
C -0.455731 0.932973 -0.270332
C -2.422296 1.122028 1.387107
C -2.838815 1.079067 -1.105576
C 0.608057 0.235048 0.652133
C -3.923435 0.820679 1.597640
C -4.753432 1.336700 0.406286
C 0.611258 -1.278343 0.447338
C 1.979610 0.858761 0.401995
C -5.117256 1.116553 -2.011133
C 1.253996 -1.868914 -0.670737
C 2.762393 0.493441 -0.721960
C -0.065814 -2.137001 1.349339
C 2.479834 1.872177 1.257037
C 1.196855 -3.261934 -0.903453
C 3.991416 1.132519 -1.002793
C -0.137627 -3.529644 1.127700
C 3.701609 2.526082 0.986172
C 0.487749 -4.092676 -0.008840
C 4.455833 2.160049 -0.153011
H -2.030269 -0.544333 0.050547
H -0.325801 2.029066 -0.161266
H -0.215284 0.687577 -1.323758
H -2.262460 2.221682 1.398504
H -1.833748 0.704117 2.226932
H -2.687131 2.189212 -1.213712
H -2.535578 0.613724 -2.063121
H 0.327603 0.441177 1.702420
H -4.074891 -0.272284 1.687486
H -4.286531 1.290110 2.532458
H -5.816689 1.056924 0.531109
H -4.705434 2.460086 0.383262
H -6.156726 0.793854 -1.819659
H -4.760463 0.599864 -2.920336
H -5.130900 2.217061 -2.223182
H -0.551456 -1.700308 2.230654
H 1.891505 2.156556 2.138284
H 1.715836 -3.693655 -1.765992
H 4.585016 0.820074 -1.868701
H -0.676202 -4.170223 1.834292
H 4.064296 3.312097 1.657330
H 0.440803 -5.171947 -0.190138
H 5.407020 2.657568 -0.371444


