%chk=000023729.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023729

0 1
 O   -1.414200     -0.2464000     -0.7636000    
 O   -1.806700      5.8200002E-02   1.497400    
 O    4.337700      0.7338000      0.3061000    
 O    2.848800       2.255200     -0.2301000    
 N   -3.521000      0.4124000     -3.3900000E-02
 N    3.164100       1.064900      1.0700000E-02
 C  -9.9100001E-02 -0.5906000     -0.4343000    
 C   0.8498000      0.4048000     -0.3799000    
 C    2.161600      6.1000001E-02 -5.3500000E-02
 C   0.1929000      -1.911300     -0.1799000    
 C    2.489000      -1.269100      0.2100000    
 C   -2.214800      7.4299999E-02  0.3367000    
 C    1.504700      -2.255300      0.1468000    
 C   -4.498800      0.7761000      0.9817000    
 C   -3.994000      0.4321000      -1.414200    
 H   0.5589000       1.429800     -0.5923000    
 H  -0.5732000      -2.678500     -0.2302000    
 H    3.500100      -1.573900      0.4675000    
 H    1.759000      -3.291200      0.3516000    
 H   -4.850200       1.792900      0.7839000    
 H   -4.071500      0.7369000       1.986800    
 H   -5.340500      7.9800002E-02  0.9256000    
 H   -4.339200       1.443000      -1.650100    
 H   -4.829300     -0.2684000      -1.506600    
 H   -3.218000      0.1500000      -2.128000    


%chk=000023729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023729

0 1
O -1.376353 0.110554 -0.223201
O -2.564299 -1.266362 1.310274
O 4.565933 0.360541 -0.916793
O 2.999544 1.794985 -1.745531
N -3.653494 0.321162 -0.030737
N 3.344932 0.751136 -1.068140
C -0.078505 -0.393472 0.032508
C 0.939023 0.369122 -0.579012
C 2.273303 -0.050737 -0.423020
C 0.232142 -1.554581 0.785727
C 2.626685 -1.198700 0.319685
C -2.555466 -0.361974 0.436380
C 1.587230 -1.937621 0.917844
C -4.973728 -0.012161 0.532223
C -3.621122 1.384472 -1.049225
H 0.702085 1.263046 -1.159943
H -0.565067 -2.126818 1.260702
H 3.676937 -1.484093 0.412725
H 1.827246 -2.832465 1.500879
H -5.421727 0.878755 1.011461
H -4.855582 -0.806050 1.283786
H -5.653577 -0.364194 -0.266504
H -3.985558 2.336658 -0.617978
H -4.276338 1.112738 -1.898699
H -2.598146 1.526559 -1.417208


