%chk=000046625.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046625

0 1
 O    1.122100      0.3248000     -0.7019000    
 O    4.311300      2.8100001E-02  0.9118000    
 O    3.245900      -1.372700     -0.5340000    
 O   -3.008100      -2.517900      0.3327000    
 N  -0.9228000      -1.532900     -0.1985000    
 C  -0.1271000      0.7527000     -0.3631000    
 C   -1.153000     -0.1581000     -0.1102000    
 C  -0.3723000       2.122800     -0.2708000    
 C   -2.424000      0.3015000      0.2350000    
 C   -1.643300       2.582200      7.4500002E-02
 C   -2.669100       1.671600      0.3273000    
 C    2.192200      0.7034000      0.1608000    
 C    3.274800     -0.3390000      0.1168000    
 C   -1.826800      -2.566700      1.9600000E-02
 H   0.4140000       2.844900     -0.4732000    
 H   -3.267500     -0.3414000      0.4450000    
 H   -1.834800       3.649000      0.1445000    
 H   -3.658400       2.030700      0.5956000    
 H    2.606400       1.655000     -0.1879000    
 H    1.845600      0.7892000       1.197800    
 H   2.4000000E-02  -1.805200     -0.4536000    
 H   -1.321200      -3.535600     -0.1331000    
 H    5.033500     -0.6356000      0.9013000    


%chk=000046625-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046625

0 1
O 1.087129 0.549578 -0.979047
O 4.065801 -0.315478 0.960787
O 2.307027 -1.645380 0.221634
O -2.627747 -2.663544 0.193764
N -0.665676 -1.426484 -0.282293
C -0.160575 0.946113 -0.408176
C -1.097436 -0.088918 -0.116390
C -0.485126 2.303540 -0.235849
C -2.393519 0.279150 0.337396
C -1.768839 2.657845 0.238789
C -2.714008 1.642475 0.514159
C 2.296092 0.800403 -0.208973
C 2.844570 -0.523177 0.328252
C -1.404241 -2.587492 -0.111329
H 0.250511 3.071432 -0.500806
H -3.119037 -0.509408 0.546866
H -2.030348 3.712531 0.372287
H -3.714971 1.911438 0.868389
H 3.053235 1.246761 -0.877972
H 2.123829 1.493190 0.637059
H 0.339047 -1.539779 -0.489804
H -0.773247 -3.488928 -0.280320
H 4.428930 -1.175068 1.307978


