%chk=000059864.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059864

0 1
 S   -2.073000       1.617700      0.3432000    
 N   0.2630000      0.5089000     -0.2145000    
 N   0.7071000       1.757400      9.1000004E-03
 N   -1.679100     -0.8567000     -0.2689000    
 C    2.385700      0.3553000     -0.5256000    
 C    3.777300     -0.1457000     -0.8194000    
 C    4.474800     -0.6433000      0.4496000    
 C    1.247900     -0.3761000     -0.5420000    
 C    2.024000       1.650400     -0.1864000    
 C    5.897400      -1.116500      0.1513000    
 C   0.9896000      -1.801300     -0.8285000    
 C   -1.089300      0.2937000     -8.6900003E-02
 C    2.879300       2.840000     -2.9800000E-02
 C    6.608900      -1.574200       1.414500    
 C   -3.451700      0.5834000      0.2911000    
 C   -3.041900     -0.7077000     -5.5700000E-02
 C   -4.798900      0.8923000      0.5387000    
 C   -4.017100      -1.723500     -0.1579000    
 C   -5.743800     -0.1313000      0.4310000    
 C   -5.360100      -1.422900      8.7200001E-02
 H    3.736300     -0.9476000      -1.566300    
 H    4.364400      0.6632000      -1.272100    
 H    3.899000      -1.465000      0.8940000    
 H    4.505000      0.1599000       1.196800    
 H    5.871100      -1.943000     -0.5683000    
 H    6.471900     -0.3037000     -0.3083000    
 H   0.3375000      -1.916400      -1.700400    
 H   0.5293000      -2.299800      3.0700000E-02
 H    1.917000      -2.339900      -1.047300    
 H    2.312700       3.705300      0.3307000    
 H    3.682600       2.646800      0.6886000    
 H    3.334100       3.113300     -0.9874000    
 H    6.076500      -2.407200       1.884500    
 H    6.681700     -0.7588000       2.141300    
 H    7.623500      -1.909600       1.177700    
 H   -5.105800       1.898400      0.8073000    
 H   -3.728400      -2.735900     -0.4258000    
 H   -6.792000      8.6599998E-02  0.6185000    
 H   -6.109000      -2.206300      8.1000002E-03


%chk=000059864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059864

0 1
S -2.183454 1.755564 0.417800
N 0.210280 0.481973 -0.204137
N 0.720162 1.772822 0.048654
N -1.803921 -0.840906 -0.276014
C 2.417492 0.300333 -0.541075
C 3.810093 -0.208052 -0.820476
C 4.585682 -0.629237 0.460010
C 1.221749 -0.431830 -0.563903
C 2.056370 1.648662 -0.157435
C 6.024515 -1.103788 0.156009
C 0.967243 -1.872255 -0.888209
C -1.164163 0.292853 -0.075714
C 2.959377 2.837458 0.009907
C 6.800087 -1.516555 1.425405
C -3.609924 0.629072 0.319211
C -3.189319 -0.687952 -0.062168
C -4.963675 0.924304 0.565705
C -4.148452 -1.718834 -0.197147
C -5.910224 -0.117303 0.426919
C -5.504814 -1.425247 0.048868
H 3.770006 -1.072298 -1.512166
H 4.393053 0.576961 -1.342962
H 4.026171 -1.436059 0.974918
H 4.619031 0.223972 1.167250
H 5.985395 -1.957936 -0.550786
H 6.572230 -0.293190 -0.367302
H 0.246939 -1.983558 -1.717154
H 0.530253 -2.412427 -0.029692
H 1.915859 -2.359967 -1.168242
H 2.366263 3.728125 0.272685
H 3.705901 2.667342 0.807853
H 3.517021 3.050763 -0.921150
H 6.290095 -2.346411 1.949912
H 6.878154 -0.670825 2.134323
H 7.825784 -1.849889 1.182837
H -5.283757 1.929486 0.857033
H -3.820293 -2.720915 -0.488801
H -6.969046 0.091136 0.614148
H -6.256662 -2.215192 -0.052514


