%chk=000052944.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052944

0 1
 O   0.1108000      -1.926000      0.9983000    
 O    1.076800       2.542800      0.2474000    
 O   -1.730600       1.091200      -1.101400    
 N   0.1992000      0.4150000      0.7549000    
 N   -3.381900      0.5352000      0.4365000    
 C   -1.126000      0.7777000       1.216500    
 C    2.022600     -0.7948000      0.1707000    
 C    2.310700      0.5434000     -5.3700000E-02
 C   0.6610000     -0.8832000      0.6968000    
 C    1.137300       1.329800      0.3256000    
 C   -2.080600      0.8101000      4.1999999E-02
 C   -4.505500      0.5474000     -0.4725000    
 C    2.938700      -1.792700     -9.0899996E-02
 C    3.530200      0.9541000     -0.5515000    
 C   -4.750800     -0.8145000      -1.110700    
 C    4.181300      -1.400100     -0.5966000    
 C    4.474200     -3.9900001E-02 -0.8246000    
 C   -5.067200      -1.895500     -8.6900003E-02
 H   -1.455100      4.4000000E-02   1.959600    
 H   -1.100500       1.775400       1.666200    
 H   -4.322000       1.292800      -1.253900    
 H   -5.383000      0.8673000      9.9500000E-02
 H    2.714200      -2.838200      8.4700003E-02
 H    3.755800       1.999400     -0.7266000    
 H   -5.587900     -0.7330000      -1.813500    
 H   -3.871400      -1.120200      -1.689900    
 H   -3.572200      0.3233000       1.411600    
 H    4.934200      -2.152200     -0.8176000    
 H    5.448700      0.2371000      -1.218200    
 H   -5.937100      -1.620400      0.5177000    
 H   -5.292100      -2.839100     -0.5942000    
 H   -4.221300      -2.071600      0.5849000    


%chk=000052944-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052944

0 1
O -0.065893 -1.889038 0.777805
O 1.158860 2.653578 0.677738
O -1.682843 0.831777 -1.164897
N 0.244537 0.464217 0.852812
N -3.402166 0.555578 0.386203
C -1.107519 0.833142 1.236311
C 2.056765 -0.771990 0.083175
C 2.422056 0.596510 0.046951
C 0.650749 -0.875239 0.588135
C 1.263562 1.412149 0.533088
C -2.079082 0.723833 0.030789
C -4.475976 0.472367 -0.623322
C 2.949275 -1.777963 -0.314845
C 3.691009 1.003858 -0.389829
C -4.785987 -0.975826 -1.072248
C 4.235600 -1.376136 -0.760311
C 4.600755 -0.006463 -0.797610
C -5.310680 -1.878489 0.064301
H -1.442619 0.194619 2.073694
H -1.075247 1.886509 1.571902
H -4.143068 1.066245 -1.492053
H -5.384394 0.945781 -0.203549
H 2.655717 -2.831834 -0.283760
H 3.960585 2.064245 -0.415563
H -5.537482 -0.922037 -1.884909
H -3.869403 -1.410793 -1.512106
H -3.636841 0.386273 1.365696
H 4.958411 -2.133339 -1.082564
H 5.599806 0.273438 -1.148545
H -6.223121 -1.454473 0.526821
H -5.564501 -2.884241 -0.315672
H -4.550365 -2.011660 0.856562


