%chk=000002137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002137

0 1
 O   -3.079200       2.245500      0.5909000    
 O   -5.442000       1.104700      0.4143000    
 O   -5.419600      -1.043700       1.197800    
 N   -1.599200      -1.360100     -0.5681000    
 N   0.5569000     -0.3670000      -1.034900    
 C  -0.7305000     -0.2388000     -0.6154000    
 C   -1.226500       1.015200     -0.2186000    
 C   -1.033000      -2.635200     -0.9898000    
 C    1.340400      0.7358000      -1.059600    
 C    2.744500      0.5440000      -1.527300    
 C   -2.902100      -1.211700     -0.1392000    
 C   -2.631600       1.160800      0.2405000    
 C   -3.467600     -6.5899998E-02  0.2578000    
 C  -0.3931000       2.135400     -0.2551000    
 C   0.9180000       1.996000     -0.6840000    
 C    3.721100      0.2109000     -0.4178000    
 C  -0.4118000      -3.378800      0.1746000    
 C    3.939800      -1.114500     -8.8600002E-02
 C    4.370600       1.240000      0.2393000    
 C   -4.867500     -8.7300003E-02  0.6821000    
 C    4.838800      -1.421200      0.9329000    
 C    5.269600      0.9333000       1.260800    
 C    5.503800     -0.3973000       1.607500    
 H   -1.827400      -3.263200      -1.414800    
 H  -0.3045000      -2.519900      -1.801900    
 H    3.090600       1.434200      -2.070300    
 H    2.767700     -0.2571000      -2.279200    
 H   -3.455500      -2.145500     -0.1530000    
 H  -0.7493000       3.116600      4.5499999E-02
 H    1.576500       2.857100     -0.7185000    
 H   0.4157000      -2.812100      0.6140000    
 H   -1.147100      -3.562100      0.9652000    
 H  -2.1299999E-02  -4.346200     -0.1562000    
 H    3.425100      -1.918200     -0.6069000    
 H    4.195700       2.279000     -2.4000000E-02
 H    5.020600      -2.457200       1.203400    
 H    5.787500       1.730500       1.786100    
 H    6.203600     -0.6361000       2.402900    
 H   -6.384400       1.128800      0.6856000    


%chk=000002137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002137

0 1
O -3.124685 2.353094 0.639181
O -5.501130 0.948714 1.053378
O -5.507830 -1.309864 0.554547
N -1.562992 -1.312198 -0.691817
N 0.542553 -0.318950 -1.128544
C -0.737895 -0.162753 -0.685117
C -1.282325 1.073299 -0.231048
C -1.004392 -2.634931 -1.098651
C 1.360409 0.770236 -1.133743
C 2.793573 0.548565 -1.597919
C -2.857529 -1.212557 -0.255322
C -2.696012 1.221878 0.245926
C -3.464003 -0.039713 0.199543
C -0.413031 2.193129 -0.248327
C 0.909045 2.048367 -0.695369
C 3.734364 0.224703 -0.432372
C -0.332455 -3.365295 0.079722
C 3.625752 -1.014645 0.250047
C 4.716612 1.153824 -0.008442
C -4.882246 -0.211711 0.603092
C 4.480595 -1.317209 1.332231
C 5.573359 0.853950 1.076269
C 5.457416 -0.382595 1.750522
H -1.837567 -3.230545 -1.510609
H -0.269840 -2.447615 -1.896902
H 3.153453 1.451284 -2.122889
H 2.788912 -0.287595 -2.319276
H -3.452795 -2.131424 -0.273150
H -0.817002 3.150742 0.096409
H 1.597843 2.898036 -0.708790
H 0.508996 -2.770564 0.473696
H -1.047847 -3.550387 0.900447
H 0.061271 -4.340019 -0.260203
H 2.866437 -1.736937 -0.072927
H 4.816250 2.113285 -0.531556
H 4.388099 -2.279407 1.848811
H 6.329494 1.581864 1.391370
H 6.120975 -0.616769 2.590347
H -6.440533 0.717414 1.295436


