%chk=000006717.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006717

0 1
 O   -4.297800       1.953800      0.9210000    
 O   -4.176200       1.134400      -1.202600    
 N   -1.700100      -1.991700      0.1254000    
 N    4.135400     -0.6011000      3.6400001E-02
 C  -0.4247000      -1.330600     -0.2709000    
 C  -0.3888000      0.1867000      8.2199998E-02
 C   0.7869000      -2.132700      0.3341000    
 C   -2.857300      -1.157300     -0.2297000    
 C    2.056000      -1.370900      0.1910000    
 C   -2.828100      0.1591000      0.5508000    
 C   0.9121000      0.8850000     -2.2100000E-02
 C    2.018900      2.9999999E-02  3.5399999E-02
 C   -1.493500      0.8359000      0.4895000    
 C    3.317200      0.5038000     -5.6400001E-02
 C   -1.852200      -3.316500     -0.4851000    
 C    3.379600      -1.743500      0.1892000    
 C    1.167600       2.252800     -0.1776000    
 C   -3.828100       1.111500     -3.1399999E-02
 C    3.589300       1.864000     -0.2104000    
 C    2.484000       2.727400     -0.2687000    
 H  -0.3338000      -1.372100      -1.368200    
 H   0.8957000      -3.099900     -0.1691000    
 H   0.6131000      -2.326200       1.400600    
 H   -3.792000      -1.676600      2.1800000E-02
 H   -2.878500     -0.9888000      -1.315700    
 H   -3.088800     -3.8500000E-02   1.598400    
 H   -1.447800       1.878800      0.7926000    
 H   -2.813700      -3.762000     -0.2037000    
 H   -1.089800      -4.013900     -0.1261000    
 H   -1.803200      -3.275000      -1.579100    
 H    3.858800      -2.707600      0.2850000    
 H   0.3520000       2.968500     -0.2410000    
 H    5.145200     -0.5783000      2.4000001E-03
 H    4.603200       2.240600     -0.2830000    
 H    2.654500       3.794800     -0.3913000    
 H   -4.953400       2.587300      0.5588000    


%chk=000006717-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006717

0 1
O -3.982789 2.266482 0.813251
O -4.923419 0.813497 -0.729235
N -1.702164 -1.975144 0.025369
N 4.219475 -0.615037 0.034863
C -0.393915 -1.331313 -0.283015
C -0.396992 0.168732 0.096710
C 0.770604 -2.125159 0.412096
C -2.857556 -1.134317 -0.366610
C 2.080105 -1.401829 0.223746
C -2.885456 0.127661 0.513493
C 0.915365 0.856601 -0.004209
C 2.055348 0.021090 0.040057
C -1.532421 0.815267 0.483861
C 3.389712 0.510878 -0.068285
C -1.820375 -3.340412 -0.530404
C 3.422738 -1.773163 0.209863
C 1.156965 2.241254 -0.167332
C -4.021485 1.056366 0.102341
C 3.629440 1.895445 -0.225221
C 2.490836 2.737381 -0.269064
H -0.191159 -1.373816 -1.389034
H 0.819142 -3.149062 0.001856
H 0.512367 -2.213425 1.486264
H -3.783504 -1.716536 -0.220714
H -2.825316 -0.831007 -1.441806
H -3.105336 -0.176430 1.561131
H -1.498621 1.864943 0.796063
H -2.826330 -3.734551 -0.304673
H -1.088012 -4.019414 -0.064040
H -1.674066 -3.378095 -1.639523
H 3.887314 -2.752246 0.314100
H 0.321478 2.945925 -0.243951
H 5.235719 -0.610137 -0.008332
H 4.637642 2.314479 -0.313031
H 2.640879 3.815424 -0.398884
H -4.754511 2.830867 0.534796


