%chk=000047933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047933

0 1
 O    1.489800     -1.8800000E-02  0.6515000    
 O    3.645800     -0.4989000      -1.042100    
 N  -6.0000001E-03  -2.373100      0.2864000    
 N   -3.939100      0.3591000     -0.5026000    
 C   0.1588000      5.8100000E-02  0.3678000    
 C  -0.6015000      -1.096800      0.1840000    
 C  -0.4417000       1.312600      0.2624000    
 C   -1.962400     -0.9972000     -0.1052000    
 C   -2.563000      0.2574000     -0.2106000    
 C    2.311500       1.054600      0.1979000    
 C   -1.802700       1.412300     -2.6600000E-02
 C    3.710600      0.5307000     -6.2700003E-02
 H   0.1035000       2.237100      0.4270000    
 H    1.935200       1.465600     -0.7480000    
 H    2.344400       1.839500      0.9612000    
 H   -2.556100      -1.897500     -0.2490000    
 H   -2.261000       2.395300     -9.9699996E-02
 H    4.146400      0.1007000      0.8445000    
 H    4.366800       1.323900     -0.4312000    
 H  -0.5637000      -3.206000      0.1531000    
 H   0.9805000      -2.451700      0.4953000    
 H   -4.374400       1.268600     -0.5796000    
 H   -4.491300     -0.4775000     -0.6368000    
 H    3.050100      -1.188400     -0.7021000    


%chk=000047933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047933

0 1
O 1.527622 -0.162269 0.179539
O 4.122192 -0.281133 -1.042710
N -0.026064 -2.351513 0.249914
N -4.093901 0.352764 -0.261942
C 0.125082 0.067126 0.068539
C -0.668083 -1.122126 0.105773
C -0.487720 1.324184 -0.062816
C -2.074620 -1.007773 -0.007907
C -2.699058 0.262839 -0.150313
C 2.405730 1.016032 0.178230
C -1.893570 1.433476 -0.173561
C 3.831017 0.466616 0.183773
H 0.115076 2.237786 -0.081462
H 2.228121 1.614591 -0.738311
H 2.207291 1.642716 1.072911
H -2.688387 -1.917643 0.017589
H -2.358353 2.420261 -0.277000
H 3.979466 -0.167956 1.082811
H 4.556673 1.297141 0.208180
H -0.555189 -3.215052 0.307445
H 0.980340 -2.367284 0.384410
H -4.546117 1.254859 -0.368790
H -4.673823 -0.479864 -0.251399
H 3.366774 -0.908179 -1.188003


