%chk=000036267.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036267

0 1
 O   -2.424200       2.311100      0.6926000    
 O   -4.218200      0.7345000     -0.7235000    
 N   0.1926000      -3.421800     -0.3678000    
 C  -0.4853000     -0.7861000      0.3540000    
 C   0.7585000      -1.326600      0.7003000    
 C    1.791900     -0.5633000       1.460400    
 C   -1.399700      -1.583500     -0.3650000    
 C  -0.8485000      0.5251000      0.7021000    
 C    2.750400      0.2139000      0.5815000    
 C   -2.653500      -1.059800     -0.7213000    
 C   -2.097300       1.035300      0.3426000    
 C    1.042000      -2.629600      0.3203000    
 C   -2.997800      0.2446000     -0.3674000    
 C   -1.003600      -2.881600     -0.6928000    
 C    2.439800       1.515800      0.2321000    
 C    3.913600     -0.3966000      0.1484000    
 C    3.322100       2.231300     -0.5775000    
 C    4.796000      0.3188000     -0.6610000    
 C    4.500200       1.632800      -1.024000    
 C   -2.091000       3.342500     -0.2342000    
 C   -5.287900      0.5431000      0.2001000    
 H    2.375100      -1.263900       2.076800    
 H    1.348000      9.5600002E-02   2.216400    
 H  -0.2124000       1.168200       1.297400    
 H   -3.363300      -1.669400      -1.277000    
 H    1.990800      -3.098500      0.5636000    
 H   -1.660000      -3.548300      -1.245500    
 H    1.550700       2.020500      0.5862000    
 H    4.154100      -1.418700      0.4256000    
 H    3.095500       3.256800     -0.8545000    
 H    5.713600     -0.1469000      -1.008400    
 H    5.188100       2.190400      -1.652900    
 H   -2.419000       4.298000      0.1839000    
 H   -2.603000       3.183600      -1.188400    
 H   -1.008200       3.381900     -0.3906000    
 H   -5.470700     -0.5243000      0.3592000    
 H   -6.190200      0.9933000     -0.2227000    
 H   -5.066300       1.032800       1.153600    


%chk=000036267-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036267

0 1
O -2.124906 2.288560 0.316854
O -4.092259 0.546660 -0.938199
N 0.150473 -3.798427 0.045584
C -0.348867 -0.994616 0.436901
C 0.882995 -1.594346 0.893517
C 1.960692 -0.787134 1.602382
C -1.316866 -1.849891 -0.217687
C -0.657843 0.394821 0.585001
C 2.692620 0.238621 0.728153
C -2.564039 -1.305141 -0.657714
C -1.869543 0.913659 0.128720
C 1.062554 -2.966928 0.674978
C -2.856011 0.044825 -0.475138
C -0.996303 -3.239426 -0.381813
C 3.032024 1.512794 1.249310
C 3.080442 -0.077840 -0.598822
C 3.745634 2.449102 0.466755
C 3.791959 0.855747 -1.384203
C 4.128252 2.123557 -0.854694
C -2.282365 3.072044 -0.933548
C -4.982498 1.080489 0.121465
H 2.706111 -1.498443 2.010758
H 1.525341 -0.264862 2.476824
H 0.062882 1.087892 1.026571
H -3.313963 -1.948602 -1.130336
H 1.981134 -3.461710 1.012836
H -1.713556 -3.907075 -0.876651
H 2.738380 1.773017 2.274460
H 2.818069 -1.056628 -1.017378
H 3.999979 3.429234 0.886092
H 4.083529 0.595457 -2.408185
H 4.680010 2.848112 -1.464013
H -2.540267 4.091012 -0.608142
H -3.083299 2.650621 -1.566436
H -1.326314 3.084292 -1.489438
H -5.296502 0.262215 0.796552
H -5.857536 1.485193 -0.408898
H -4.477247 1.874143 0.700180


