%chk=000063549.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063549

0 1
 S    1.930700       1.865000       1.183100    
 O   -1.539100       3.446600      0.6662000    
 O   -3.542200       1.859700     -0.1595000    
 O    6.679700      -1.374200      0.4174000    
 N  -0.1516000       1.855700     -0.3418000    
 N   -1.912700      0.4160000     -0.9932000    
 N   -2.194800      -1.941300     -0.8626000    
 N    1.604900      0.3792000     -0.9847000    
 C   -1.051400       1.506500      -1.423400    
 C    1.084300       1.267000     -0.2101000    
 C  -0.4935000       2.804700      0.6182000    
 C   0.5917000       2.981300       1.648800    
 C   -3.127700      0.7250000     -0.3760000    
 C   -3.934100     -0.4502000      2.6900001E-02
 C   -3.433700      -1.733000     -0.2333000    
 C   -1.518300     -0.8933000      -1.200000    
 C   -5.171700     -0.2773000      0.6555000    
 C   -4.195100      -2.843500      0.1474000    
 C    2.890900     -6.5200001E-02 -0.6294000    
 C   -5.917600      -1.394400       1.028200    
 C   -5.430800      -2.675500      0.7749000    
 C    3.032700      -1.158000      0.2192000    
 C    4.010300      0.5915000      -1.130000    
 C    4.308400      -1.599000      0.5714000    
 C    5.285900      0.1504000     -0.7779000    
 C    5.435000     -0.9448000      7.2899997E-02
 C    6.759800      -2.498700       1.291900    
 H   -1.657100       2.378900      -1.689800    
 H  -0.4744000       1.191800      -2.299500    
 H   0.9417000       4.016400       1.639800    
 H   0.2056000       2.717600       2.636500    
 H  -0.5488000      -1.007400      -1.705600    
 H   -5.568000      0.7129000      0.8616000    
 H   -3.829200      -3.849700     -4.3099999E-02
 H   -6.879300      -1.266400       1.516600    
 H   -6.013400      -3.544800       1.066000    
 H    2.159800      -1.674900      0.6094000    
 H    3.903900       1.444100      -1.795400    
 H    4.351800      -2.455400       1.235500    
 H    6.159700      0.6640000      -1.169700    
 H    7.822400      -2.702500       1.459900    
 H    6.330700      -3.396200      0.8337000    
 H    6.317600      -2.280100       2.269900    


%chk=000063549-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063549

0 1
S 1.632703 2.516039 1.822009
O -1.494009 4.483160 0.299867
O -3.113639 1.701613 0.613410
O 5.854494 -2.538461 -0.015052
N -0.256461 2.519521 -0.102354
N -1.717089 0.775767 -1.026106
N -1.806365 -1.546791 -1.679370
N 1.376250 0.873994 -0.523136
C -1.087168 2.094976 -1.238691
C 0.920853 1.812069 0.234950
C -0.589277 3.680715 0.627248
C 0.299884 3.852820 1.855508
C -2.771138 0.684190 -0.057657
C -3.368592 -0.659958 0.045635
C -2.870457 -1.730223 -0.768713
C -1.287173 -0.339676 -1.760247
C -4.438076 -0.890086 0.950101
C -3.458675 -3.019500 -0.657355
C 2.498113 0.040397 -0.297714
C -5.010343 -2.168944 1.047713
C -4.516988 -3.233998 0.241340
C 2.934296 -0.385955 0.985539
C 3.189091 -0.440816 -1.446466
C 4.043551 -1.247616 1.123214
C 4.300915 -1.285206 -1.317763
C 4.737738 -1.691201 -0.029794
C 6.342582 -2.994259 1.289124
H -1.868818 2.867897 -1.340830
H -0.467807 2.028212 -2.147434
H 0.767413 4.848692 1.846268
H -0.310085 3.736347 2.765216
H -0.443742 -0.159617 -2.432949
H -4.794943 -0.050592 1.555734
H -3.061908 -3.821863 -1.286286
H -5.836372 -2.349401 1.743527
H -4.967034 -4.229498 0.323036
H 2.388964 -0.076974 1.883986
H 2.838844 -0.130289 -2.435803
H 4.347139 -1.567362 2.124319
H 4.843206 -1.650406 -2.194792
H 7.211950 -3.629055 1.064181
H 5.574359 -3.588820 1.820819
H 6.656811 -2.141341 1.921668


