%chk=000131639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131639

0 1
 O   -5.491300       3.064300     -0.6597000    
 O    5.490000       3.065000      0.6595000    
 O   -4.435100       1.384100      -1.762200    
 O    4.433700       1.385000       1.762200    
 N  -0.2033000      -1.107700      0.5925000    
 N   0.2030000      -1.107800     -0.5933000    
 C   -3.693700      0.1000000      0.6590000    
 C    3.693300      0.1001000     -0.6589000    
 C   -4.439900       1.391100      0.6731000    
 C    4.439300       1.391300     -0.6730000    
 C   -2.299100      0.1002000      0.6324000    
 C    2.298600      0.1002000     -0.6327000    
 C   -1.601600      -1.107600      0.6191000    
 C    1.608100      -1.107600     -0.6196000    
 C   -4.390800      -1.108300      0.6724000    
 C    4.390400      -1.108000     -0.6717000    
 C   -2.298600      -2.315700      0.6325000    
 C    2.298400      -2.315600     -0.6323000    
 C   -3.693300      -2.316100      0.6591000    
 C    3.693100      -2.315900     -0.6584000    
 C   -4.768900       1.914100     -0.7113000    
 C    4.767800       1.914700      0.7113000    
 H   -3.853200       2.156000       1.196100    
 H   -5.379900       1.269900       1.225200    
 H    3.852700       2.156000      -1.196400    
 H    5.379500       1.270200      -1.224800    
 H   -1.752800       1.040600      0.6205000    
 H    1.751100       1.039800     -0.6213000    
 H   -5.477300      -1.122200      0.6910000    
 H    5.477000      -1.121800     -0.6899000    
 H   -1.764100      -3.262100      0.6230000    
 H    1.763000      -3.261200     -0.6227000    
 H   -4.235900      -3.256900      0.6690000    
 H    4.235800      -3.256600     -0.6680000    
 H   -5.703500       3.402900      -1.555600    
 H    5.701900       3.403800       1.555400    


%chk=000131639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131639

0 1
O -6.147096 1.690622 2.199941
O 6.154847 1.689910 -2.198797
O -7.060025 1.052528 0.162252
O 7.062752 1.047888 -0.160152
N -0.498375 -0.340242 0.424486
N 0.496600 -0.340949 -0.424921
C -4.216683 -0.361453 0.268824
C 4.214950 -0.356745 -0.268884
C -5.380267 -0.398571 1.262707
C 5.378444 -0.396240 -1.262878
C -2.883494 -0.355732 0.732742
C 2.881786 -0.354314 -0.732925
C -1.798192 -0.340905 -0.182097
C 1.796369 -0.338008 0.181752
C -4.459081 -0.343143 -1.129188
C 4.457185 -0.333732 1.129091
C -2.046928 -0.326672 -1.582766
C 2.044939 -0.318962 1.582390
C -3.376763 -0.325519 -2.042472
C 3.374726 -0.314605 2.042183
C -6.284867 0.816315 1.114617
C 6.287667 0.814925 -1.113417
H -5.005441 -0.447584 2.296059
H -6.004440 -1.291140 1.071377
H 5.003294 -0.442459 -2.296245
H 5.999280 -1.291504 -1.073027
H -2.653112 -0.362326 1.803867
H 2.651470 -0.364577 -1.804040
H -5.491077 -0.329625 -1.497321
H 5.489123 -0.317877 1.497275
H -1.196253 -0.315525 -2.270537
H 1.194181 -0.306684 2.270040
H -3.581267 -0.311357 -3.118765
H 3.579124 -0.296734 3.118442
H -6.730331 2.486224 2.059353
H 6.741357 2.482972 -2.057466


