%chk=000047899.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047899

0 1
 S   2.9999999E-02  -1.171100       1.758000    
 N   0.5152000       1.900300     -0.6359000    
 N  -0.4139000      -3.665600      0.8111000    
 N   0.2270000      -2.187400     -0.7799000    
 N  -0.3252000      -4.191300     -0.4187000    
 N   5.0900001E-02  -3.351500      -1.393200    
 C  -0.2823000       1.027400      5.4200001E-02
 C    1.882500      0.4986000      0.4331000    
 C    1.842100       1.601300     -0.4231000    
 C   0.5350000      0.1475000      0.7258000    
 C   -1.723100       1.128900     -2.4000001E-03
 C    3.136800     -1.7400000E-02  0.8154000    
 C    2.997700       2.216000     -0.9180000    
 C    4.301200      0.5875000      0.3283000    
 C    4.230300       1.686900     -0.5250000    
 C   -2.401600       1.918800      0.9235000    
 C   -2.429400      0.4351000     -0.9829000    
 C   -3.792100       2.015400      0.8687000    
 C   -3.819800      0.5315000      -1.037800    
 C   -4.501100       1.321700     -0.1119000    
 C  -6.0100000E-02  -2.432500      0.5108000    
 H   0.1838000       2.656900      -1.218900    
 H    3.214100     -0.8739000       1.479100    
 H    2.943500       3.071900      -1.582400    
 H    5.271300      0.1937000      0.6197000    
 H    5.147400       2.141000     -0.8916000    
 H   -1.863200       2.465200       1.694100    
 H   -1.913500     -0.1843000      -1.712500    
 H   -4.322600       2.630400       1.589700    
 H   -4.372000     -8.5000005E-03  -1.801200    
 H   -5.583700       1.396700     -0.1546000    
 H  -0.5315000      -5.167500     -0.6017000    


%chk=000047899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047899

0 1
S -0.026473 -1.429620 1.528632
N 0.519868 2.079589 -0.380530
N 0.419251 -3.973733 0.467182
N -0.584920 -2.547529 -1.040900
N 0.129687 -4.571786 -0.733234
N -0.464124 -3.741050 -1.673377
C -0.321080 1.059256 0.095717
C 1.886283 0.427655 0.408199
C 1.864775 1.722051 -0.218494
C 0.504951 0.032005 0.587836
C -1.785991 1.213180 0.032872
C 3.132722 -0.175828 0.714309
C 3.046371 2.412217 -0.563672
C 4.314923 0.511074 0.377837
C 4.273118 1.788352 -0.256894
C -2.385290 2.466078 0.346195
C -2.616742 0.129390 -0.362158
C -3.784793 2.629916 0.273021
C -4.016223 0.297741 -0.426032
C -4.606468 1.543971 -0.109947
C -0.045192 -2.703761 0.241031
H 0.179415 2.904442 -0.872266
H 3.166118 -1.154651 1.204561
H 3.019501 3.395026 -1.047171
H 5.287731 0.061168 0.604749
H 5.211880 2.294074 -0.508452
H -1.758733 3.299340 0.687606
H -2.157099 -0.818956 -0.658405
H -4.234155 3.596597 0.526271
H -4.646261 -0.542905 -0.737122
H -5.693704 1.668868 -0.163512
H 0.344354 -5.550468 -0.924050


