%chk=000094971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094971

0 1
 S    1.994100      -1.041000      9.9999997E-05
 N   -1.251300      -1.733500       0.000000    
 N   -2.977200     -0.3230000       0.000000    
 N   0.7429000       1.356600      9.9999997E-05
 N   -1.668600       1.725800     -9.9999997E-05
 C  -0.7065000     -0.4811000      9.9999997E-05
 C   0.5827000      1.4100000E-02   0.000000    
 C   -1.797900      0.3772000      9.9999997E-05
 C    3.369900      0.1495000     -9.9999997E-05
 C   -2.613400      -1.587600       0.000000    
 C    4.702000     -0.5759000       0.000000    
 C  -0.3766000       2.118900       0.000000    
 H  -0.7451000      -2.609100     -9.9999997E-05
 H    3.300700      0.7853000     -0.8887000    
 H    3.300800      0.7855000      0.8884000    
 H   -3.278300      -2.439600     -9.9999997E-05
 H    4.817100      -1.205000      0.8892000    
 H    4.817100      -1.205100     -0.8892000    
 H    5.522000      0.1499000     -9.9999997E-05
 H  -0.2118000       3.191000     -9.9999997E-05


%chk=000094971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094971

0 1
S 2.029892 -1.091396 -0.000020
N -1.296577 -1.790273 0.000015
N -3.056169 -0.317750 0.000010
N 0.743326 1.360423 -0.000061
N -1.682765 1.758508 -0.000032
C -0.728114 -0.514202 -0.000014
C 0.584521 0.011772 -0.000043
C -1.841502 0.398755 -0.000021
C 3.441917 0.181776 -0.000042
C -2.686506 -1.608716 0.000000
C 4.779516 -0.570088 -0.000041
C -0.384076 2.155110 -0.000058
H -0.798435 -2.680030 0.000038
H 3.304873 0.811138 -0.892808
H 3.304882 0.811163 0.892704
H -3.379496 -2.447954 0.000014
H 4.890276 -1.206222 0.895989
H 4.890269 -1.206236 -0.896058
H 5.606351 0.163918 -0.000042
H -0.199583 3.233204 -0.000032


