%chk=000052760.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052760

0 1
 O   -1.246900      0.6430000      -1.581400    
 N   -3.100900      0.1489000      0.4839000    
 N   -5.212700      0.2945000     -0.1179000    
 C   0.6279000      0.2146000     -0.2295000    
 C    1.518100       1.273000     -4.8200000E-02
 C    1.095100      -1.099700     -0.2171000    
 C    2.875600       1.017100      0.1452000    
 C    2.452600      -1.355500     -2.3499999E-02
 C    3.342800     -0.2971000      0.1576000    
 C  -0.7926000      0.4824000     -0.4334000    
 C    1.020700       2.685100     -6.2100001E-02
 C   0.1433000      -2.238500     -0.4120000    
 C   -1.728100      0.5638000      0.7780000    
 C    3.830700       2.152400      0.3402000    
 C    2.954400      -2.765300     -9.6000005E-03
 C    4.799300     -0.5717000      0.3637000    
 C   -3.583200      -1.111400      0.5933000    
 C   -4.095400      0.9642000      5.8300000E-02
 C   -4.900500     -0.9999000      0.2144000    
 H    1.039600       3.102300      0.9503000    
 H    1.631100       3.306600     -0.7269000    
 H  -1.4000000E-03   2.791100     -0.4353000    
 H  -0.8247000      -1.936500     -0.8200000    
 H  -4.4199999E-02  -2.742100      0.5421000    
 H   0.5373000      -2.960400      -1.136000    
 H   -1.762400       1.597300       1.137700    
 H   -1.361600     -8.1200004E-02   1.583600    
 H    4.576400       1.920400       1.108600    
 H    4.341600       2.381500     -0.6006000    
 H    3.354400       3.067900      0.7011000    
 H    2.189500      -3.493600      0.2747000    
 H    3.743000      -2.906500      0.7373000    
 H    3.341200      -3.038200     -0.9966000    
 H    5.135500      -1.460300     -0.1802000    
 H    5.436800      0.2285000     -2.5200000E-02
 H    5.012000     -0.7058000       1.429100    
 H   -2.985400      -1.952400      0.9157000    
 H   -3.963600       2.024500     -0.1095000    
 H   -5.639500      -1.786300      0.1634000    


%chk=000052760-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052760

0 1
O -1.378730 0.542604 -1.594668
N -3.137530 0.096453 0.590372
N -5.245039 0.931945 0.468164
C 0.639195 0.070833 -0.287816
C 1.455833 1.232474 -0.176596
C 1.180765 -1.240869 -0.173693
C 2.851385 1.069701 0.066363
C 2.573486 -1.392367 0.073886
C 3.406086 -0.239243 0.180996
C -0.851131 0.233671 -0.499309
C 0.846625 2.623991 -0.306315
C 0.289993 -2.464134 -0.367299
C -1.694804 0.046094 0.789041
C 3.755370 2.288316 0.203522
C 3.184226 -2.779637 0.215863
C 4.899721 -0.420376 0.415120
C -3.946273 -0.927893 0.076716
C -3.968196 1.199285 0.798587
C -5.236531 -0.398969 0.014517
H 0.952566 3.203641 0.630740
H 1.343601 3.204832 -1.104687
H -0.223053 2.589585 -0.564847
H -0.701432 -2.195090 -0.768942
H 0.137429 -3.023611 0.576765
H 0.737227 -3.169494 -1.090161
H -1.393343 0.851630 1.487319
H -1.397797 -0.902091 1.274146
H 4.381279 2.227382 1.112458
H 4.445709 2.378656 -0.658240
H 3.183687 3.226253 0.260249
H 2.425762 -3.548196 0.431136
H 3.926041 -2.810878 1.033132
H 3.711589 -3.088572 -0.709164
H 5.294122 -1.288474 -0.140475
H 5.477909 0.462413 0.101710
H 5.123331 -0.595017 1.487137
H -3.545492 -1.901122 -0.195127
H -3.598551 2.145880 1.187439
H -6.149235 -0.882906 -0.324838


