%chk=000079733.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079733

0 1
 O    5.631500       1.652100     -0.5530000    
 O   -5.630600       1.653500      0.5530000    
 O    5.564100     -0.2255000      0.7315000    
 O   -5.565200     -0.2269000     -0.7275000    
 N    1.423900     -0.6430000     -0.2510000    
 N   -1.423600     -0.6425000      0.2500000    
 C   0.7328000      0.5632000      0.2212000    
 C   0.7330000      -1.848600      0.2228000    
 C  -0.7331000      0.5625000     -0.2258000    
 C  -0.7332000      -1.848700     -0.2230000    
 C    2.820900     -0.6425000      0.1784000    
 C   -2.821100     -0.6429000     -0.1774000    
 C    3.555200      0.5604000     -0.4061000    
 C   -3.554500      0.5614000      0.4055000    
 C    5.006400      0.5839000      5.5999998E-03
 C   -5.006400      0.5839000     -4.1999999E-03
 H   0.7897000      0.6492000       1.314800    
 H    1.162900       1.472200     -0.2084000    
 H    1.218200      -2.741200     -0.1907000    
 H   0.7855000      -1.925400       1.317500    
 H   -1.163200       1.472700      0.2013000    
 H  -0.7902000      0.6456000      -1.319700    
 H  -0.7859000      -1.926600      -1.317600    
 H   -1.218500      -2.740800      0.1914000    
 H    2.901700     -0.6404000       1.273800    
 H    3.314900      -1.557500     -0.1736000    
 H   -2.903600     -0.6431000      -1.272600    
 H   -3.314800      -1.557100      0.1773000    
 H    3.147300       1.507500     -4.1400000E-02
 H    3.508100      0.5390000      -1.501000    
 H   -3.147300       1.507600      3.7999999E-02
 H   -3.505800      0.5424000       1.500300    
 H    6.579100       1.693200     -0.3028000    
 H   -6.578600       1.694100      0.3041000    


%chk=000079733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079733

0 1
O 5.946154 1.432875 -0.536942
O -5.946140 1.434140 0.533466
O 5.752548 -0.716742 0.315527
O -5.752585 -0.717217 -0.314614
N 1.451407 -0.493075 -0.123515
N -1.451465 -0.492828 0.123756
C 0.710535 0.723768 0.293877
C 0.707086 -1.707089 0.301007
C -0.710504 0.723430 -0.295202
C -0.707197 -1.707453 -0.299112
C 2.854616 -0.517182 0.351539
C -2.854633 -0.517508 -0.351392
C 3.721359 0.530813 -0.371541
C -3.721375 0.531645 0.370013
C 5.201770 0.309289 -0.141019
C -5.201788 0.309719 0.139872
H 0.639290 0.791609 1.409610
H 1.244109 1.620172 -0.070158
H 1.256210 -2.599256 -0.052979
H 0.623838 -1.768626 1.415340
H -1.244024 1.620337 0.067672
H -0.639250 0.789820 -1.411021
H -0.623940 -1.770510 -1.413360
H -1.256374 -2.599107 0.056083
H 2.928882 -0.366103 1.458461
H 3.272824 -1.517888 0.141455
H -2.928764 -0.368085 -1.458550
H -3.272948 -1.517860 -0.139843
H 3.478491 1.566860 -0.076995
H 3.529191 0.463059 -1.460911
H -3.478533 1.567219 0.073809
H -3.529201 0.465609 1.459491
H 6.915336 1.243415 -0.406621
H -6.915324 1.244451 0.403496


