%chk=000028864.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028864

0 1
 O   -4.197400     -3.3000000E-02  -1.649600    
 N  -0.3430000      -2.145300     -0.2537000    
 N   -2.301100      0.2091000     -0.3714000    
 N    5.051400     -0.1089000       1.401600    
 N   -4.419800      0.7179000      0.5385000    
 C    1.020800      -1.554600     -0.3502000    
 C    1.014000     -5.8499999E-02 -0.7848000    
 C    1.789500      -1.797100       1.001600    
 C   -1.389300     -0.2159000      -1.405200    
 C   -1.184000      -1.735000      -1.390500    
 C    3.052300      -1.012600       1.043700    
 C    2.284100      0.6929000     -0.6726000    
 C    3.192200      0.1340000      0.2346000    
 C  -0.1067000      0.5357000      -1.229500    
 C    4.437400      0.6946000      0.4655000    
 C  -0.3098000      -3.609600     -0.1790000    
 C    4.217900      -1.146100       1.760800    
 C    2.684400       1.853600      -1.345500    
 C    4.851700       1.851500     -0.1962000    
 C    3.945900       2.418000      -1.106900    
 C   -3.678700      0.2724000     -0.5715000    
 C   -5.869900      0.8527000      0.4964000    
 C   -3.782600       1.073600       1.803900    
 C   -6.553700     -0.4343000      0.9257000    
 C   -3.405700       2.545000       1.834400    
 H    1.574400      -2.080200      -1.144900    
 H    2.028600      -2.859600       1.122300    
 H    1.160700      -1.495400       1.849400    
 H   -1.815000      5.6600001E-02  -2.378800    
 H   -2.164700      -2.224500      -1.330000    
 H  -0.7232000      -2.056200      -2.335200    
 H  -0.1199000       1.587300      -1.503100    
 H   0.1984000      -4.055000      -1.041700    
 H   -1.327200      -4.015700     -0.1357000    
 H   0.1828000      -3.954500      0.7346000    
 H    4.535800      -1.874500       2.493400    
 H   -1.885000      0.4958000      0.5043000    
 H    2.030600       2.331100      -2.070600    
 H    5.977800      4.2300001E-02   1.776000    
 H    5.825100       2.294800     -1.9700000E-02
 H    4.232900       3.318900      -1.644700    
 H   -6.182200       1.691600       1.127400    
 H   -6.169800       1.085300     -0.5315000    
 H   -4.494800      0.8725000       2.613800    
 H   -2.921900      0.4373000       2.023700    
 H   -6.261700      -1.269600      0.2805000    
 H   -6.289400     -0.7001000       1.954200    
 H   -7.641000     -0.3236000      0.8706000    
 H   -2.686900       2.787400       1.045100    
 H   -4.283400       3.183800       1.692100    
 H   -2.952900       2.800200       2.797500    


%chk=000028864-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028864

0 1
O -3.921485 0.783907 -1.785646
N -0.216258 -2.221025 -0.017891
N -2.414196 -0.208118 -0.305755
N 5.177123 0.302684 1.210751
N -4.423187 0.769777 0.504600
C 1.114625 -1.564845 -0.187476
C 0.967426 -0.149220 -0.799867
C 1.889153 -1.566331 1.178892
C -1.462897 -0.581638 -1.371353
C -1.059454 -2.058367 -1.233728
C 3.157087 -0.759025 1.067172
C 2.200362 0.678136 -0.811778
C 3.213495 0.298666 0.099397
C -0.219305 0.284774 -1.316250
C 4.469593 0.965338 0.197155
C -0.114249 -3.640874 0.386408
C 4.379580 -0.743496 1.735358
C 2.492195 1.781924 -1.648429
C 4.756267 2.071449 -0.635328
C 3.744129 2.458695 -1.547914
C -3.600723 0.467333 -0.589393
C -5.669253 1.523747 0.247896
C -4.110837 0.390942 1.895735
C -6.916345 0.617827 0.153616
C -3.168510 1.386039 2.616456
H 1.742701 -2.155772 -0.910087
H 2.106552 -2.605911 1.481828
H 1.210003 -1.137264 1.943512
H -1.997376 -0.412997 -2.323957
H -1.966275 -2.677724 -1.120399
H -0.526048 -2.389153 -2.159641
H -0.314899 1.309484 -1.696607
H 0.497882 -4.254844 -0.320765
H -1.127989 -4.075733 0.427370
H 0.327225 -3.732243 1.392102
H 4.755444 -1.374606 2.538917
H -2.094305 -0.403687 0.643462
H 1.769274 2.113685 -2.401714
H 6.117419 0.530219 1.524878
H 5.707744 2.612378 -0.592975
H 3.935950 3.307612 -2.214241
H -5.796523 2.274491 1.053189
H -5.532756 2.061424 -0.704931
H -5.067377 0.330816 2.447427
H -3.685913 -0.632353 1.922423
H -6.811813 -0.080867 -0.694058
H -7.063892 0.027420 1.077567
H -7.824691 1.228017 -0.008210
H -2.193804 1.463905 2.102649
H -3.616329 2.395574 2.639252
H -2.986539 1.065930 3.659482


