%chk=000042548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042548

0 1
 O    4.210300       3.327800     -0.1177000    
 N   -7.388900      0.1385000     -0.2926000    
 N    1.325100     -0.4723000     -7.4500002E-02
 N    3.513700      -2.152500      9.0200000E-02
 C   -3.629100     -0.5835000     -0.2452000    
 C   -4.940800      0.2077000     -0.2503000    
 C   -2.383100      0.3050000     -0.2215000    
 C   -6.182400     -0.6818000     -0.3001000    
 C   -1.105900     -0.5340000     -0.1437000    
 C   0.1397000      0.3469000     -0.1589000    
 C   -7.702700      0.5796000       1.067300    
 C   -8.517400     -0.6007000     -0.8603000    
 C    2.612900      3.8699999E-02 -4.3400001E-02
 C   -8.919900       1.488500       1.082500    
 C   -8.844000      -1.828800     -2.7700000E-02
 C    3.705000     -0.8207000      4.0800001E-02
 C    4.995700     -0.2523000      7.1699999E-02
 C    2.774500       1.425400     -9.6600004E-02
 C    6.095400      -1.116900      0.1563000    
 C    5.158500       1.142400      1.7999999E-02
 C    4.048700       1.978200     -6.5899998E-02
 C    5.901400      -2.489800      0.2075000    
 C    7.504300     -0.6145000      0.1955000    
 C    4.601600      -2.952400      0.1716000    
 C    3.027200       4.121500     -0.2030000    
 H   -3.618000      -1.245900      0.6295000    
 H   -3.594200      -1.229000      -1.131600    
 H   -4.947600      0.8411000      0.6434000    
 H   -4.943400      0.8845000      -1.114700    
 H   -2.430600      0.9811000      0.6407000    
 H   -2.364200      0.9296000      -1.122600    
 H   -6.118900      -1.266100      -1.227700    
 H   -6.154200      -1.397400      0.5313000    
 H   -1.118500      -1.142400      0.7696000    
 H   -1.071600      -1.234400     -0.9880000    
 H   8.9500003E-02   1.035000      0.6938000    
 H   0.1465000      0.9334000      -1.085700    
 H   -7.824400     -0.2383000       1.786400    
 H   -6.874600       1.185700       1.451800    
 H   -8.266600     -0.9159000      -1.881600    
 H   -9.403700      3.0600000E-02 -0.9833000    
 H    1.221700      -1.480900     -4.0800001E-02
 H   -8.992300       1.987400       2.055600    
 H   -9.856400      0.9407000      0.9416000    
 H   -8.849700       2.272700      0.3207000    
 H   -8.003200      -2.518700      8.5500002E-02
 H   -9.243900      -1.588100      0.9612000    
 H   -9.632200      -2.395300     -0.5386000    
 H    1.897400       2.055200     -0.1632000    
 H    6.143700       1.601900      4.0399998E-02
 H    6.727600      -3.189000      0.2733000    
 H    7.738900     -5.3700000E-02 -0.7154000    
 H    7.661700      2.3399999E-02   1.071500    
 H    8.229100      -1.433800      0.2621000    
 H    4.388300      -4.015600      0.2085000    
 H    3.344400       5.169100     -0.2346000    
 H    2.399200       4.006800      0.6871000    
 H    2.477600       3.928400      -1.130600    


%chk=000042548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042548

0 1
O 4.591351 3.428864 -0.115271
N -7.522717 -0.063812 -0.224517
N 1.369519 -0.322324 -0.014957
N 3.418963 -2.060740 0.051652
C -3.669055 -0.629882 -0.060245
C -5.003819 0.146885 -0.120256
C -2.431544 0.295303 -0.072865
C -6.232705 -0.790235 -0.105688
C -1.097645 -0.481767 -0.033443
C 0.130106 0.449675 -0.047345
C -7.935900 0.589264 1.043149
C -8.587462 -0.847030 -0.901998
C 2.635294 0.218749 -0.023792
C -9.088861 1.595472 0.866192
C -9.129732 -2.091031 -0.142295
C 3.747297 -0.719308 0.012695
C 5.104197 -0.223734 0.006414
C 2.899166 1.605696 -0.065970
C 6.164296 -1.210436 0.044180
C 5.341037 1.181003 -0.036606
C 4.250274 2.064385 -0.072496
C 5.803959 -2.564490 0.083114
C 7.615476 -0.781441 0.041050
C 4.429111 -2.951860 0.085534
C 3.509331 4.411857 -0.169568
H -3.646069 -1.259833 0.853792
H -3.611095 -1.328638 -0.921225
H -5.050379 0.852392 0.733654
H -5.048246 0.761541 -1.040198
H -2.482785 0.985579 0.794831
H -2.461738 0.931926 -0.981349
H -6.152821 -1.478999 -0.970053
H -6.190709 -1.430661 0.813116
H -1.064426 -1.114632 0.876752
H -1.043338 -1.167373 -0.903521
H 0.081072 1.138302 0.825905
H 0.097151 1.088908 -0.958052
H -8.213247 -0.158513 1.830780
H -7.056217 1.134219 1.432618
H -8.182540 -1.169809 -1.880694
H -9.428319 -0.165327 -1.127594
H 1.352409 -1.348605 0.016537
H -9.262093 2.144192 1.810290
H -10.038042 1.100744 0.592083
H -8.838459 2.325399 0.075997
H -8.322866 -2.815919 0.071624
H -9.600466 -1.810356 0.817760
H -9.894511 -2.606050 -0.753409
H 2.068260 2.314289 -0.093307
H 6.352029 1.594231 -0.043823
H 6.577328 -3.339941 0.112086
H 7.856985 -0.194171 -0.865510
H 7.843308 -0.135313 0.910305
H 8.289728 -1.653504 0.075165
H 4.149995 -4.011417 0.115947
H 4.013314 5.389175 -0.207591
H 2.867687 4.360915 0.731918
H 2.886364 4.280288 -1.075905


