%chk=000020504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020504

0 1
 O    1.156900      -1.167300      8.2500003E-02
 O    1.550100       1.687400      5.4699998E-02
 N   -2.331200     -7.8999996E-03 -0.1986000    
 C   0.1134000     -0.2407000     -0.2492000    
 C   -1.212800     -0.8785000      0.1378000    
 C   0.3355000       1.070400      0.4932000    
 C   -3.598300     -0.6168000      0.1828000    
 C   -4.762500      0.2922000     -0.2076000    
 C    2.397500     -0.5891000      2.5100000E-02
 C   -6.104900     -0.3384000      0.1649000    
 C    2.587500      0.7942000      6.0000003E-04
 C    3.497900      -1.446400      1.4000000E-03
 C   -7.267400      0.5757000     -0.1883000    
 C    3.876100       1.320900     -9.2100002E-02
 C    4.786900     -0.9186000     -7.7500001E-02
 C    4.975400      0.4629000     -0.1296000    
 H   0.1464000     -7.7799998E-02  -1.335900    
 H   -1.207900      -1.102400       1.212600    
 H   -1.306600      -1.843800     -0.3765000    
 H  -0.4671000       1.788300      0.2984000    
 H   0.3973000      0.9197000       1.578900    
 H   -3.621300     -0.7868000       1.265900    
 H   -3.716700      -1.588100     -0.3130000    
 H   -2.327300      0.1860000      -1.199600    
 H   -4.740200      0.4862000      -1.287600    
 H   -4.659900       1.261600      0.2964000    
 H   -6.131000     -0.5516000       1.239800    
 H   -6.225700      -1.293900     -0.3586000    
 H    3.359600      -2.523600      3.2900002E-02
 H   -8.216700      0.1048000      8.5699998E-02
 H   -7.193900       1.528200      0.3462000    
 H   -7.289400      0.7850000      -1.262500    
 H    4.032400       2.395700     -0.1243000    
 H    5.644900      -1.584200     -0.1026000    
 H    5.979900      0.8709000     -0.1951000    


%chk=000020504-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020504

0 1
O 1.211111 -1.194022 -0.015810
O 1.569297 1.705596 0.173274
N -2.364777 -0.172547 -0.312968
C 0.101135 -0.236292 -0.259483
C -1.193957 -0.981131 0.088160
C 0.321143 1.024846 0.583855
C -3.664713 -0.663831 0.201877
C -4.822861 0.237784 -0.266230
C 2.491734 -0.590836 -0.020886
C -6.200858 -0.245301 0.241176
C 2.665379 0.819982 0.054978
C 3.617589 -1.434829 -0.109247
C -7.359833 0.661505 -0.225544
C 3.961563 1.372744 0.010281
C 4.914964 -0.879059 -0.140480
C 5.086526 0.526210 -0.091534
H 0.118735 0.041507 -1.335269
H -1.237479 -1.140638 1.182709
H -1.150657 -1.991998 -0.382463
H -0.491781 1.747580 0.423590
H 0.387453 0.755877 1.657185
H -3.616219 -0.656312 1.309108
H -3.875277 -1.720717 -0.102114
H -2.401100 -0.046185 -1.335460
H -4.837621 0.273237 -1.376910
H -4.632218 1.272177 0.080192
H -6.186913 -0.287380 1.349375
H -6.378261 -1.282922 -0.108137
H 3.455817 -2.516315 -0.160647
H -8.333162 0.300576 0.154144
H -7.220403 1.698756 0.132602
H -7.418770 0.693547 -1.329903
H 4.065146 2.461050 0.065990
H 5.785405 -1.539711 -0.209563
H 6.090764 0.961250 -0.124646


