%chk=000005021.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005021

0 1
 O    2.541000       1.759300      0.6454000    
 O    4.601700      3.3199999E-02  0.5542000    
 N   -3.054200      -1.603800     -0.1264000    
 C   -1.689300      -1.122200      0.2113000    
 C   -1.520900      0.3873000      7.4000000E-03
 C  -0.6089000      -1.858900     -0.6127000    
 C   -2.652700       1.224900     -3.3900000E-02
 C   -4.060100     -0.7791000      0.5619000    
 C   -4.038500      0.6440000      1.2000000E-02
 C  -0.2163000      0.9377000     -7.4400000E-02
 C   0.7758000      -1.337900     -0.2984000    
 C   0.9585000      3.6899999E-02 -3.5200000E-02
 C   -3.254700      -3.009000      0.2429000    
 C   -2.493000       2.605400     -0.1868000    
 C  -9.5799997E-02   2.331000     -0.2251000    
 C    1.869900      -2.216800     -0.3117000    
 C    2.261400      0.4793000      0.2560000    
 C   -1.220400       3.155100     -0.2786000    
 C    3.344700     -0.4043000      0.2581000    
 C    3.150200      -1.749800     -3.1300001E-02
 C    5.401700      0.4875000     -0.5349000    
 H   -1.503200      -1.303800       1.281200    
 H  -0.7866000      -1.736800      -1.689500    
 H  -0.6309000      -2.931600     -0.3918000    
 H   -3.884500     -0.7736000       1.646400    
 H   -5.067700      -1.182800      0.4009000    
 H   -4.686200       1.272300      0.6352000    
 H   -4.447000      0.6513000      -1.006700    
 H   -3.041400      -3.192900       1.302000    
 H   -2.633600      -3.675000     -0.3629000    
 H   -4.288600      -3.315800      4.5200001E-02
 H   -3.360900       3.257300     -0.2425000    
 H   0.8582000       2.825500     -0.3683000    
 H    1.726800      -3.271000     -0.5351000    
 H   -1.101000       4.226700     -0.4111000    
 H    3.988100      -2.441300     -3.4100000E-02
 H    3.483500       1.831500      0.8732000    
 H    4.911300       1.312500      -1.061400    
 H    5.601300     -0.3342000      -1.230000    
 H    6.354100      0.8456000     -0.1346000    


%chk=000005021-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005021

0 1
O 2.432205 2.085776 0.266710
O 4.531701 0.560639 0.107456
N -3.013873 -1.647618 0.083598
C -1.650112 -1.063402 0.197672
C -1.629639 0.452494 -0.033585
C -0.659881 -1.701552 -0.803032
C -2.820689 1.218297 -0.050763
C -4.018284 -0.828584 0.807856
C -4.168111 0.536518 0.123751
C -0.358674 1.088850 -0.226223
C 0.735588 -1.147779 -0.573448
C 0.870859 0.249204 -0.271816
C -3.062417 -3.058591 0.522129
C -2.751445 2.620203 -0.242153
C -0.318251 2.497224 -0.410845
C 1.864466 -1.983989 -0.658141
C 2.183934 0.743579 -0.057579
C -1.506559 3.255764 -0.418337
C 3.315223 -0.118479 -0.147904
C 3.172119 -1.480538 -0.451624
C 5.767144 -0.218754 0.053392
H -1.244373 -1.249541 1.232374
H -1.018725 -1.472187 -1.826848
H -0.637225 -2.799691 -0.698769
H -3.736100 -0.686824 1.883650
H -4.982172 -1.369690 0.788650
H -4.850085 1.182309 0.709942
H -4.635471 0.381648 -0.868594
H -2.734535 -3.199504 1.584081
H -2.426819 -3.692607 -0.117916
H -4.098385 -3.429593 0.430876
H -3.678974 3.206367 -0.249692
H 0.645756 2.989929 -0.543009
H 1.727483 -3.046177 -0.888945
H -1.456867 4.341089 -0.560762
H 4.038627 -2.144495 -0.521811
H 3.413869 2.178518 0.412803
H 5.917334 -0.650670 -0.954530
H 5.758195 -1.027454 0.809102
H 6.574959 0.493007 0.278184


