%chk=000017229.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017229

0 1
 O   -3.322200      -1.644500      0.3052000    
 N   -1.102800     -5.3399999E-02  2.9000000E-03
 N   -2.358800      0.4386000     -4.5899998E-02
 N   -4.641700      0.2164000      4.0199999E-02
 C    1.270100      0.2362000     -5.9500001E-02
 C  -0.1142000      0.7775000     -0.1511000    
 C    2.273800       1.058900      0.4026000    
 C    1.497600      -1.068300     -0.4398000    
 C  -0.2733000       2.261600     -0.4167000    
 C    3.570300      0.5515000      0.4886000    
 C    2.794100      -1.575600     -0.3536000    
 C    3.830400     -0.7658000      0.1108000    
 C   -3.423300     -0.4331000      0.1162000    
 H    2.098300       2.076900      0.7343000    
 H   0.7070000      -1.712600     -0.8123000    
 H   -1.021700       2.423200      -1.198700    
 H   0.6455000       2.725200     -0.7828000    
 H  -0.5917000       2.763300      0.5013000    
 H    4.376300       1.179500      0.8570000    
 H    2.997200      -2.600700     -0.6495000    
 H    4.839600      -1.161100      0.1792000    
 H   -2.505300       1.433500     -0.1638000    
 H   -4.702000       1.216700     -0.1172000    
 H   -5.514800     -0.2904000      0.1397000    


%chk=000017229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017229

0 1
O -3.298470 -1.725439 -0.148038
N -1.084121 -0.000097 -0.063350
N -2.381937 0.460379 -0.097224
N -4.701077 0.137952 -0.094185
C 1.281114 0.305835 -0.035431
C -0.092352 0.879827 -0.084974
C 2.436872 1.116521 0.139126
C 1.460764 -1.105212 -0.157243
C -0.329907 2.381817 -0.159002
C 3.726883 0.540824 0.185110
C 2.746071 -1.674923 -0.112448
C 3.890293 -0.855703 0.057158
C -3.447113 -0.479532 -0.113650
H 2.346795 2.201816 0.255974
H 0.571150 -1.729092 -0.284164
H -1.008028 2.635277 -0.999544
H 0.600582 2.940657 -0.326576
H -0.787711 2.768563 0.774179
H 4.602034 1.185765 0.323502
H 2.860263 -2.760256 -0.211895
H 4.890943 -1.300860 0.089865
H -2.595763 1.466374 -0.115370
H -4.849992 1.142017 -0.017564
H -5.508892 -0.479010 -0.117156


