%chk=000051524.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051524

0 1
 S   -4.257000     -0.8651000     -0.1055000    
 N  -7.8999996E-03   1.716500     -0.2211000    
 N   0.2843000     -0.6327000     -0.5199000    
 N   -1.859700      0.2740000     -0.2817000    
 N    4.426000      -1.175200     -3.5799999E-02
 N   -1.985500      -1.978000      0.4276000    
 C  -0.9621000       2.824600     -7.4199997E-02
 C   -1.817600       2.563400       1.165000    
 C  -0.1600000       4.115300      8.8200003E-02
 C   -1.829500       2.884600      -1.331200    
 C  -0.4870000      0.5193000     -0.3688000    
 C    1.677400     -0.8146000     -0.3572000    
 C    2.413400      9.5299996E-02  0.3893000    
 C    2.307100      -1.903600     -0.9441000    
 C    3.774800     -0.1284000      0.5189000    
 C   -2.551200     -0.8673000      2.8999999E-02
 C    3.673200      -2.037800     -0.7549000    
 C    4.600800      0.8272000       1.314000    
 C   -4.266300      -2.499700      0.4133000    
 C   -2.973300      -2.917600      0.6491000    
 H   -1.279600       1.985900       1.926600    
 H   -2.071800       3.520300       1.641200    
 H   -2.793600       2.100500       1.001200    
 H   0.5033000       4.279000     -0.7691000    
 H   0.4743000       4.072900      0.9814000    
 H  -0.8162000       4.987800      0.1805000    
 H   -1.609000       2.120300      -2.084900    
 H   -2.904700       2.880500      -1.116400    
 H   -1.664000       3.834800      -1.857400    
 H  -0.1909000      -1.464000     -0.8610000    
 H   -2.496400       1.015400     -0.5227000    
 H    1.968600      0.9400000      0.9002000    
 H    1.760300      -2.631700      -1.533600    
 H    4.215200      -2.870200      -1.191400    
 H    4.541200       1.831800      0.8831000    
 H    4.251600      0.8609000       2.350900    
 H    5.653400      0.5254000       1.321800    
 H   -5.185400      -3.058100      0.5183000    
 H   -2.693900      -3.906700      0.9861000    


%chk=000051524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051524

0 1
S -4.528668 -1.227314 -0.285127
N -0.172930 1.645141 0.113439
N 0.133712 -0.712264 0.004715
N -2.073878 0.124521 -0.067884
N 4.362986 -1.251045 0.215793
N -2.071711 -2.290086 -0.193039
C -0.942098 2.924144 0.154018
C -1.823670 3.025120 1.434683
C 0.136984 4.037230 0.221460
C -1.787358 3.157672 -1.136346
C -0.654433 0.437511 0.024009
C 1.535165 -0.820564 0.077346
C 2.437347 0.269595 0.177648
C 2.084481 -2.137224 0.046272
C 3.830883 0.013163 0.244585
C -2.687792 -1.108521 -0.168048
C 3.478309 -2.291547 0.116970
C 4.816895 1.160407 0.355609
C -4.312667 -3.020857 -0.367086
C -2.976119 -3.353148 -0.303662
H -1.202586 2.847316 2.330189
H -2.263708 4.035857 1.511658
H -2.656478 2.297106 1.457629
H 0.786171 3.990442 -0.670389
H 0.772617 3.891127 1.112057
H -0.326867 5.039511 0.273755
H -1.159728 2.997151 -2.030738
H -2.673762 2.499703 -1.226188
H -2.158188 4.198436 -1.155672
H -0.402363 -1.603651 -0.069893
H -2.676960 0.945480 -0.074860
H 2.043211 1.286172 0.202180
H 1.433377 -3.015259 -0.030822
H 3.923565 -3.293289 0.094811
H 4.731037 1.848003 -0.506600
H 4.634935 1.757339 1.268926
H 5.841915 0.759934 0.390824
H -5.181871 -3.667369 -0.453532
H -2.587455 -4.370944 -0.333888


