%chk=000047025.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047025

1 1
 O    1.963800     -0.4056000     -0.8629000    
 O    2.296400      -1.499100       1.161800    
 N   -3.529200     -0.3215000      0.2159000    
 N    4.084600      -1.007400     -0.2318000    
 C   -2.027100     -0.3395000     -7.7900000E-02
 C   -3.878300      -1.542600       1.062100    
 C   -4.288600     -0.3430000      -1.107700    
 C   -3.952000      0.9277000      0.9860000    
 C   -1.303500      0.7181000      0.3615000    
 C   6.5600000E-02  0.7009000      9.5299996E-02
 C   -1.547100      -1.412200     -0.7515000    
 C   0.9137000       1.840200      0.5559000    
 C   0.6285000     -0.3730000     -0.5943000    
 C  -0.1778000      -1.429500      -1.018000    
 C    1.012000       2.952300     -0.4968000    
 C    1.849100       4.123600     -7.7999998E-03
 C    2.752500      -1.022200      0.1269000    
 C    5.137400      -1.567200      0.5834000    
 H   -3.257800      -1.533500       1.964000    
 H   -4.936700      -1.475700       1.333900    
 H   -3.717700      -2.456600      0.4840000    
 H   -4.111300      -1.290200      -1.624500    
 H   -5.357200     -0.2520000     -0.8875000    
 H   -3.956800      0.5044000      -1.716200    
 H   -3.755300       1.818600      0.3803000    
 H   -5.032600      0.8625000       1.158000    
 H   -3.450800      0.9480000       1.959300    
 H   -1.687700       1.575500      0.8961000    
 H   -2.151700      -2.244000      -1.091700    
 H   0.4951000       2.253900       1.483400    
 H    1.917700       1.499000      0.8328000    
 H   0.2538000      -2.268900      -1.556700    
 H    1.453800       2.556700      -1.419500    
 H   9.3999999E-03   3.314000     -0.7561000    
 H    1.413300       4.567600      0.8928000    
 H    2.870000       3.804700      0.2251000    
 H    1.902400       4.899500     -0.7778000    
 H    4.339000     -0.5774000      -1.115800    
 H    5.669100      -2.313800     -1.1500000E-02
 H    4.737500      -2.029900       1.488800    
 H    5.825600     -0.7618000      0.8514000    


%chk=000047025-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047025

1 1
O 1.916752 -0.521753 -0.876852
O 2.495413 -0.997835 1.387196
N -3.713996 -0.350379 0.221430
N 4.105817 -0.843025 -0.333240
C -2.206538 -0.353719 -0.055829
C -4.096462 -1.624820 0.989269
C -4.480638 -0.297234 -1.108119
C -4.158676 0.845712 1.061616
C -1.373756 0.671208 0.434731
C 0.024037 0.658122 0.192273
C -1.676274 -1.421177 -0.813820
C 0.894028 1.806472 0.665896
C 0.546192 -0.437081 -0.549398
C -0.290078 -1.454021 -1.053148
C 1.357466 2.728305 -0.501379
C 2.257112 3.876273 0.001562
C 2.855186 -0.813906 0.205257
C 5.300559 -1.137192 0.472586
H -3.522650 -1.651758 1.927066
H -5.177809 -1.604295 1.196688
H -3.847915 -2.505805 0.382825
H -4.219392 -1.174199 -1.714972
H -5.561726 -0.294115 -0.897811
H -4.188659 0.618666 -1.642538
H -3.924420 1.778066 0.528489
H -5.246296 0.770364 1.211737
H -3.649011 0.821210 2.035343
H -1.767732 1.510593 1.013446
H -2.297420 -2.228663 -1.214541
H 0.337994 2.416240 1.403195
H 1.782643 1.414260 1.192398
H 0.157814 -2.271155 -1.625172
H 1.901622 2.122195 -1.249663
H 0.468710 3.145304 -1.014866
H 1.728893 4.508583 0.739308
H 3.169972 3.484964 0.487568
H 2.572127 4.526551 -0.833529
H 4.194555 -0.678948 -1.337299
H 5.800112 -2.054166 0.113918
H 4.987692 -1.290208 1.516829
H 6.015849 -0.297035 0.434255


