%chk=000046531.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046531

0 1
 N   0.1530000      -1.115200      1.1000000E-03
 C    2.001300      0.4176000       0.000000    
 C    1.092100       1.477700      3.0000001E-04
 C  -0.2864000       1.237600      6.0000003E-04
 C  -0.7363000     -9.5299996E-02  7.9999998E-04
 C    1.479700     -0.8834000      6.9999998E-04
 C   -2.128500     -0.3347000      3.9999999E-04
 C    3.391300      0.6295000     -7.9999998E-04
 C    2.376100      -1.948800      5.0000002E-04
 C   -3.045700      0.7480000     -9.9999997E-05
 C   -1.196600       2.301700      5.0000002E-04
 C    1.555700       2.908600      1.7000000E-03
 C    4.267300     -0.4517000     -1.4000000E-03
 C   -2.564700       2.058700      9.9999997E-05
 C    3.758100      -1.743900     -6.0000003E-04
 C   -2.659000      -1.642600      1.9999999E-04
 C    4.054300       1.971800     -1.8000000E-03
 C    1.873500      -3.359500      1.1000000E-03
 C   -4.428600      0.5004000     -8.9999998E-04
 C   -4.036400      -1.873700     -6.9999998E-04
 C   -4.920300     -0.8028000     -1.4000000E-03
 H  -0.9518000       3.353500     -1.2000001E-03
 H    2.081500       3.148700     -0.9233000    
 H   0.7980000       3.686800      1.0800000E-02
 H    2.092000       3.143400      0.9218000    
 H    5.345700     -0.3183000     -2.2000000E-03
 H   -3.250500       2.903500     -6.0000003E-04
 H    4.447800      -2.583900     -8.9999998E-04
 H   -2.000800      -2.509800      5.0000002E-04
 H    3.895100       2.529600      0.9216000    
 H    3.886400       2.533300     -0.9214000    
 H    5.147500       1.844600     -7.6000001E-03
 H    1.267800      -3.547500      0.8939000    
 H    2.691900      -4.087600      1.8000000E-03
 H    1.268400      -3.548500     -0.8919000    
 H   -5.138500       1.325300     -1.3000000E-03
 H   -4.414900      -2.891800     -1.0000000E-03
 H   -5.991700     -0.9801000     -2.2000000E-03


%chk=000046531-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046531

0 1
N 0.145996 -1.060568 0.001264
C 2.063592 0.541810 0.000746
C 1.119664 1.639444 0.001972
C -0.285113 1.358754 0.000813
C -0.726389 -0.026662 0.000702
C 1.495037 -0.813900 0.000917
C -2.159082 -0.353011 0.000074
C 3.522098 0.658621 -0.001063
C 2.332807 -1.996042 0.000640
C -3.127188 0.705361 -0.001074
C -1.316148 2.385299 -0.000744
C 1.577819 3.090412 0.004690
C 4.284274 -0.516656 -0.001758
C -2.661391 2.075611 -0.001712
C 3.712986 -1.823151 -0.000536
C -2.607604 -1.704243 0.000456
C 4.322690 1.958383 -0.003157
C 1.699038 -3.369755 0.001284
C -4.518054 0.385568 -0.001804
C -3.979519 -2.001403 -0.000222
C -4.942143 -0.951369 -0.001365
H -1.035393 3.441166 -0.001929
H 2.180506 3.325670 -0.888373
H 0.735449 3.793052 0.015992
H 2.196478 3.316957 0.888750
H 5.377188 -0.428120 -0.003380
H -3.406799 2.880127 -0.003144
H 4.373483 -2.697888 -0.000932
H -1.850076 -2.492857 0.001291
H 4.134905 2.579945 0.889641
H 4.123622 2.584291 -0.890352
H 5.399620 1.719957 -0.010359
H 1.048527 -3.505149 0.883677
H 2.471913 -4.157947 0.001457
H 1.048270 -3.505861 -0.880823
H -5.251983 1.200333 -0.002730
H -4.313808 -3.044753 0.000113
H -6.011473 -1.190228 -0.001922


