%chk=000129852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129852

0 1
 O    4.119500     -0.2244000      -1.217300    
 N   -1.279500      0.6850000     -0.3273000    
 N    2.853600      4.0300000E-02  0.7161000    
 N   -6.016200     -0.6737000     -0.4074000    
 C  -4.1700002E-02  0.6955000      0.4396000    
 C    1.091000       1.399300     -0.3109000    
 C   -2.343800      1.7300000E-02  0.4121000    
 C   -3.660200      1.5000000E-03 -0.3680000    
 C    2.408200       1.406900      0.4672000    
 C   -4.798400     -0.6781000      0.3956000    
 C    3.670100     -0.6458000     -0.1548000    
 C    3.997400      -2.023800      0.3551000    
 H  -0.2003000       1.210300       1.395200    
 H   0.2513000     -0.3367000      0.6650000    
 H   0.8019000       2.436600     -0.5202000    
 H    1.245500      0.9092000      -1.280900    
 H   -2.053600      -1.016300      0.6382000    
 H   -2.509600      0.5309000       1.367000    
 H   -3.506100     -0.5146000      -1.325100    
 H   -3.948200       1.033700     -0.6082000    
 H   -1.130500      0.2141000      -1.219200    
 H    2.286400       1.895600       1.438900    
 H    3.178600       1.939900     -9.9500000E-02
 H   -4.982600     -0.1573000       1.341400    
 H   -4.527500      -1.712800      0.6303000    
 H    2.546900     -0.4081000       1.574500    
 H   -6.292100      0.2869000     -0.6073000    
 H   -6.777800      -1.083000      0.1323000    
 H    4.512900      -2.592000     -0.4241000    
 H    4.646900      -1.945900       1.231300    
 H    3.080000      -2.554400      0.6262000    


%chk=000129852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129852

0 1
O 4.646699 0.135508 -0.939680
N -1.389624 0.606220 -0.202092
N 2.958123 -0.068955 0.652770
N -6.217965 -0.511257 -0.509273
C -0.112993 0.606739 0.538682
C 1.013510 1.229181 -0.309853
C -2.537001 0.025353 0.528175
C -3.808719 0.048103 -0.340674
C 2.384105 1.265642 0.403950
C -5.036772 -0.547111 0.376774
C 4.056415 -0.548962 -0.048808
C 4.511395 -1.957912 0.328957
H -0.251906 1.206761 1.461746
H 0.188643 -0.423642 0.870362
H 0.719533 2.262688 -0.574764
H 1.124018 0.669919 -1.260555
H -2.342573 -1.025207 0.869929
H -2.700038 0.629068 1.444238
H -3.645664 -0.524272 -1.275542
H -4.013415 1.096532 -0.636734
H -1.281941 0.174134 -1.131494
H 2.294034 1.808496 1.366395
H 3.119323 1.798791 -0.223072
H -5.180174 -0.008238 1.347364
H -4.832148 -1.606154 0.628733
H 2.514530 -0.671673 1.346682
H -6.470709 0.432894 -0.819292
H -7.030337 -1.026319 -0.156575
H 4.497907 -2.594024 -0.572689
H 5.556072 -1.915583 0.682376
H 3.889771 -2.430620 1.109764


