%chk=000019689.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019689

0 1
 O   -4.988700     -0.9356000      0.3754000    
 N    5.541500     -0.4633000      0.1725000    
 N   6.3500002E-02  0.4044000     -0.5922000    
 N  -0.4770000      0.7179000      0.4943000    
 C    4.161400     -0.2449000     -1.9900000E-02
 C    3.262300      -1.303100      0.1135000    
 C    3.695400       1.029400     -0.3438000    
 C    1.431700      0.1871000     -0.4009000    
 C    1.897500      -1.087100     -7.7100001E-02
 C    2.330600       1.245400     -0.5342000    
 C    6.129800      -1.752800     -0.1301000    
 C    6.391900      0.6034000      0.6623000    
 C   -4.110100      9.6000001E-02  0.2463000    
 C   -1.851800      0.9365000      0.3014000    
 C   -2.745500     -0.1217000      0.4364000    
 C   -4.574400       1.370900     -7.7600002E-02
 C   -2.309700       2.210200     -2.1600001E-02
 C   -3.674200       2.428000     -0.2115000    
 C   -4.509500      -2.240400      5.4000001E-02
 C   -5.665000      -3.080400     -0.4472000    
 H    3.590700      -2.304600      0.3763000    
 H    4.369200       1.872500     -0.4674000    
 H    1.204300      -1.917400      3.0800000E-02
 H    1.977200       2.241000     -0.7896000    
 H    5.939600      -2.465700      0.6791000    
 H    7.216200      -1.673800     -0.2500000    
 H    5.738700      -2.161900      -1.068500    
 H    7.328500      0.2063000       1.069600    
 H    5.909200       1.162100       1.472200    
 H    6.651700       1.295000     -0.1461000    
 H   -2.353900      -1.095600      0.7171000    
 H   -5.636200       1.546600     -0.2272000    
 H   -1.615300       3.039500     -0.1269000    
 H   -4.035800       3.420600     -0.4636000    
 H   -3.753800      -2.213700     -0.7411000    
 H   -4.081300      -2.698200      0.9526000    
 H   -5.334800      -4.093500     -0.6937000    
 H   -6.454300      -3.140900      0.3094000    
 H   -6.112900      -2.628000      -1.338200    


%chk=000019689-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019689

0 1
O -5.067068 -0.882233 -0.232149
N 5.668698 -0.487892 0.189360
N 0.012039 -0.005918 -0.015958
N -0.515123 1.199278 -0.035511
C 4.282561 -0.345100 0.139028
C 3.417194 -1.488987 0.115912
C 3.672673 0.957686 0.108613
C 1.429238 -0.038696 0.035616
C 2.025835 -1.329186 0.064930
C 2.283695 1.104583 0.058488
C 6.270352 -1.828288 0.223451
C 6.536320 0.698882 0.211616
C -4.161749 0.190653 -0.187171
C -1.946512 1.216484 -0.091139
C -2.761101 0.047705 -0.130531
C -4.761150 1.481248 -0.203610
C -2.537350 2.505363 -0.107636
C -3.944214 2.627437 -0.163449
C -4.508904 -2.248203 -0.216905
C -5.692899 -3.209514 -0.280875
H 3.834000 -2.499240 0.137416
H 4.298005 1.854825 0.124492
H 1.363342 -2.201465 0.046873
H 1.822944 2.097208 0.035558
H 5.942463 -2.401861 1.113689
H 7.366854 -1.737594 0.263477
H 6.009316 -2.417929 -0.678315
H 7.589763 0.381080 0.248658
H 6.340461 1.333995 1.098552
H 6.400239 1.322851 -0.694174
H -2.258080 -0.922708 -0.115294
H -5.852288 1.552451 -0.247677
H -1.881526 3.380675 -0.076582
H -4.407167 3.620118 -0.176109
H -3.833331 -2.380299 -1.087099
H -3.917714 -2.394642 0.710485
H -5.334466 -4.255049 -0.271770
H -6.362230 -3.060712 0.583630
H -6.276417 -3.046807 -1.203088


