%chk=000007026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007026

0 1
 O   -2.515100     -0.5060000     -0.6629000    
 N   -1.773400      -2.900300      0.3794000    
 N   -2.083900       2.691300      0.5751000    
 N    3.743600     -0.1458000      0.2643000    
 C  -0.2504000      -1.266800     -0.6421000    
 C  -0.7441000       1.096600     -0.7257000    
 C    1.537000      0.3389000     -0.7066000    
 C   -1.180000     -0.2275000     -0.6763000    
 C  -0.6974000      -2.690700     -0.5898000    
 C   -1.724100       2.222800     -0.7635000    
 C    1.115100     -0.9823000     -0.6572000    
 C   0.6213000       1.381200     -0.7410000    
 C    3.010700      0.6468000     -0.7224000    
 C   -1.330100      -2.528700       1.722300    
 C   -2.218900      -4.292600      0.3545000    
 C   -3.043000       3.791700      0.4900000    
 C  -0.8895000       3.109200       1.307800    
 C    3.245700      0.1286000       1.611800    
 C    5.176600      0.1338000      0.1822000    
 H   -1.040800      -2.964000      -1.596700    
 H   0.1501000      -3.351300     -0.3604000    
 H   -2.625900       1.904000      -1.302500    
 H   -1.310000       3.043000      -1.368000    
 H    1.835600      -1.796100     -0.6471000    
 H   0.9685000       2.409600     -0.7962000    
 H    3.378000      0.4215000      -1.732300    
 H    3.179300       1.719200     -0.5544000    
 H   -2.124000      -2.734800       2.450400    
 H  -0.4405000      -3.089100       2.033800    
 H   -1.117500      -1.459900       1.822700    
 H   -3.057800      -4.440600       1.043700    
 H   -2.583300      -4.562400     -0.6431000    
 H   -1.419300      -4.989900      0.6302000    
 H   -3.950400       3.472400     -3.4899998E-02
 H   -2.630200       4.662400     -3.2600001E-02
 H   -3.357400       4.107600       1.490900    
 H   -1.179000       3.577700       2.257100    
 H  -0.2886000       3.842600      0.7578000    
 H  -0.2650000       2.260200       1.603000    
 H    2.213200     -0.2014000       1.762100    
 H    3.310000       1.193000       1.867400    
 H    3.836200     -0.4263000       2.350900    
 H    5.732600     -0.4958000      0.8859000    
 H    5.408300       1.182600      0.4006000    
 H    5.558500     -0.1030000     -0.8172000    
 H   -2.671300      -1.457400     -0.7687000    


%chk=000007026-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007026

0 1
O -2.431680 -0.511847 -0.577913
N -1.885599 -2.857935 0.340622
N -2.115584 2.691652 0.572382
N 4.012235 -0.072790 0.288993
C -0.113701 -1.282653 -0.475921
C -0.637438 1.125428 -0.704498
C 1.717990 0.353913 -0.638120
C -1.071026 -0.223819 -0.582972
C -0.605043 -2.723203 -0.442908
C -1.664866 2.240992 -0.773929
C 1.262597 -0.977749 -0.487960
C 0.752241 1.383472 -0.750227
C 3.208839 0.658207 -0.723755
C -1.672581 -2.658411 1.800211
C -2.591041 -4.129992 0.048417
C -3.402204 3.409051 0.518685
C -1.081516 3.436070 1.310134
C 3.720525 0.363040 1.669261
C 5.456065 -0.041510 -0.011277
H -0.839750 -3.060862 -1.473036
H 0.182222 -3.399437 -0.042263
H -2.557770 1.865383 -1.303631
H -1.247275 3.097463 -1.366255
H 2.008711 -1.775159 -0.378582
H 1.088179 2.423024 -0.869494
H 3.596816 0.352577 -1.717218
H 3.359924 1.767502 -0.653579
H -2.648977 -2.634357 2.313522
H -1.051805 -3.468305 2.243286
H -1.167232 -1.692975 1.965820
H -3.541822 -4.160512 0.607659
H -2.819024 -4.188886 -1.029860
H -1.988401 -5.021696 0.333194
H -4.164652 2.761363 0.050989
H -3.359892 4.370613 -0.057875
H -3.736998 3.647721 1.544951
H -1.450934 3.679962 2.322840
H -0.785194 4.396465 0.808995
H -0.175879 2.814503 1.415392
H 2.640183 0.262640 1.868287
H 4.011462 1.427826 1.861829
H 4.267158 -0.277066 2.385049
H 6.000599 -0.669140 0.717330
H 5.899761 0.986998 0.025842
H 5.636577 -0.452979 -1.020992
H -2.504805 -1.510586 -0.229125


