%chk=000050198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050198

0 1
 S   0.6301000       1.426200     -0.3611000    
 N    1.530700      4.8200000E-02 -0.1768000    
 N   -2.055400       1.523500     -0.2693000    
 N   -1.240500     -0.5232000      2.5500000E-02
 C    2.974700      9.1100000E-02 -0.3988000    
 C    3.644900      0.9315000      0.6938000    
 C    3.540200      -1.333100     -0.4254000    
 C    5.164800      0.9361000      0.5388000    
 C    5.060100      -1.325500     -0.5796000    
 C    5.730900     -0.4804000      0.4997000    
 C  -0.9815000      0.7197000     -0.1835000    
 C   -3.149600      0.7154000     -9.6199997E-02
 C   -2.614600     -0.5570000      8.5900001E-02
 C   -4.519600      0.9799000     -8.3400004E-02
 C   -3.483300      -1.641700      0.2942000    
 C   -5.369400     -0.1113000      0.1252000    
 C   -4.862600      -1.399500      0.3109000    
 H    3.177600      0.5477000      -1.377600    
 H    3.390800      0.5368000       1.686700    
 H    3.297600       1.971000      0.6664000    
 H    3.095600      -1.901000      -1.251900    
 H    3.278800      -1.862800      0.5005000    
 H    5.618200       1.490800       1.368100    
 H    5.435800       1.463300     -0.3844000    
 H    5.324600     -0.9315000      -1.568800    
 H    5.440200      -2.352200     -0.5329000    
 H    6.811000     -0.4411000      0.3190000    
 H    5.587400     -0.9572000       1.477100    
 H    1.338700     -0.3843000      0.7268000    
 H   -2.064000       2.522600     -0.4288000    
 H   -4.910500       1.980700     -0.2278000    
 H   -3.099400      -2.646400      0.4394000    
 H   -6.445000      4.7300000E-02  0.1431000    
 H   -5.548300      -2.227600      0.4709000    


%chk=000050198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050198

0 1
S 0.670511 -0.017952 2.342994
N 1.611833 -0.890140 1.018054
N -1.086010 -0.733411 0.282857
N -2.049673 0.515159 1.947077
C 2.676645 -0.057499 0.366986
C 3.792563 0.410449 1.333516
C 3.270884 -0.879668 -0.803236
C 4.878499 1.223194 0.588708
C 4.367489 -0.076478 -1.547728
C 5.475687 0.409255 -0.583696
C -0.933604 -0.059720 1.490041
C -2.432328 -0.588947 -0.090665
C -3.024320 0.194938 0.965116
C -3.174666 -1.043988 -1.198216
C -4.394605 0.531612 0.909602
C -4.544225 -0.697170 -1.232804
C -5.143229 0.077414 -0.197616
H 2.163365 0.833105 -0.045717
H 4.257562 -0.483797 1.801660
H 3.347221 1.015221 2.147200
H 2.461756 -1.171647 -1.498778
H 3.713189 -1.816522 -0.401755
H 5.675072 1.524518 1.295094
H 4.429875 2.158727 0.195722
H 3.902761 0.800438 -2.043095
H 4.801720 -0.702478 -2.350570
H 6.216972 1.018668 -1.135158
H 6.019165 -0.469296 -0.178073
H 2.016483 -1.740952 1.446897
H -0.296447 -1.203978 -0.168585
H -2.722897 -1.640478 -1.997729
H -4.849816 1.126138 1.707388
H -5.159799 -1.032367 -2.074980
H -6.208633 0.323653 -0.264811


