%chk=000031595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031595

0 1
 O   -2.037900      -2.238700     -0.1174000    
 O    2.156000     -0.3339000      0.4169000    
 O   -3.686600      0.9750000     -0.3879000    
 O   0.4890000       1.498800     -0.5732000    
 O   -1.381800       1.918100      0.6840000    
 O    5.623400      0.1176000      0.4658000    
 O    3.989500       1.269000       1.373300    
 N  -0.6876000      -2.556900     -0.1967000    
 N    4.386300      0.2894000      0.6756000    
 C  -0.9403000     -0.3006000     -1.7000001E-02
 C  -5.1800001E-02  -1.383400     -0.1347000    
 C   -2.175600     -0.8924000     -1.0800000E-02
 C    1.419500      -1.302000     -0.1890000    
 C   -3.450600     -0.2755000      8.7700002E-02
 C  -0.6640000       1.103100      7.6899998E-02
 C    2.236900      -2.186300     -0.8534000    
 C   -4.591800     -0.8046000      0.6439000    
 C    3.560700      -1.732300     -0.6426000    
 C    3.457900     -0.6029000      0.1359000    
 C   -5.593800      0.1846000      0.5007000    
 C   0.8250000       2.889900     -0.5196000    
 C   -4.993300       1.247600     -0.1328000    
 C    2.110900       3.116400      -1.285600    
 H    1.931700      -3.052500      -1.424200    
 H    4.472200      -2.177600      -1.015400    
 H   -4.699100      -1.779800       1.098500    
 H   -6.624600      0.1298000      0.8194000    
 H   1.6200000E-02   3.476900     -0.9681000    
 H   0.9581000       3.190300      0.5254000    
 H   -5.339500       2.218600     -0.4552000    
 H    2.398500       4.171200      -1.262400    
 H    2.925600       2.519900     -0.8671000    
 H    1.995700       2.805000      -2.329200    


%chk=000031595-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031595

0 1
O -2.072900 -2.207230 -0.224940
O 2.148612 -0.326914 0.304470
O -3.634933 1.120924 0.078932
O 0.325200 1.620126 -0.682136
O -0.845008 1.787824 1.333437
O 5.701135 0.024645 0.519555
O 4.012572 1.540831 0.897030
N -0.671937 -2.588049 -0.294612
N 4.450540 0.368354 0.566183
C -0.875285 -0.281072 0.047634
C 0.005166 -1.411262 -0.142660
C -2.160937 -0.819795 -0.001405
C 1.455702 -1.463542 -0.145464
C -3.490893 -0.282997 0.077793
C -0.492047 1.135239 0.325504
C 2.367486 -2.465398 -0.497093
C -4.746936 -0.883487 0.153745
C 3.681153 -1.942955 -0.270568
C 3.504027 -0.647974 0.210015
C -5.716246 0.180298 0.211308
C 0.964103 2.955998 -0.427338
C -5.009737 1.374439 0.164028
C 1.756611 3.308272 -1.679840
H 2.102041 -3.449252 -0.876329
H 4.636818 -2.431675 -0.439852
H -4.937956 -1.954260 0.171317
H -6.796552 0.074928 0.281336
H 0.163421 3.683097 -0.204321
H 1.611673 2.845717 0.460232
H -5.289864 2.423756 0.181779
H 2.253643 4.285110 -1.538681
H 2.537043 2.553351 -1.873821
H 1.099088 3.374754 -2.563537


