%chk=000051579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051579

0 1
 O  -8.6199999E-02 -0.3782000      -2.773300    
 O    3.575800       3.139400      0.4526000    
 N   -2.496400      0.4220000      -1.453900    
 N    3.021300      -2.361000      0.4930000    
 C   -2.609600      0.9137000       1.095800    
 C   -1.398400     -0.2946000     -0.7522000    
 C   -1.394200      2.9500000E-02  0.7580000    
 C   -3.911700      0.2365000      0.6090000    
 C   -2.443000       2.213300      0.2889000    
 C   -3.783800     -7.1300000E-02 -0.9025000    
 C   -2.416600       1.879500      -1.210200    
 C  -3.2900002E-02 -3.3100002E-02  -1.392800    
 C   -4.257800     -0.9864000       1.404100    
 C    1.062200     -0.8212000     -0.7196000    
 C    2.164400     -0.1975000     -0.1338000    
 C   -5.378100      -1.119900       2.122200    
 C   0.9315000      -2.197200     -0.7049000    
 C    3.137500      -1.019700      0.4722000    
 C    2.317800       1.199300     -0.1369000    
 C    1.934200      -2.917800     -8.8500001E-02
 C    4.240300     -0.4054000       1.059200    
 C    3.430700       1.786900      0.4575000    
 C    4.393100      0.9833000       1.056100    
 H   -2.644400       1.131500       2.169100    
 H   -1.625500      -1.362600     -0.8714000    
 H  -0.4896000      0.5684000       1.062200    
 H   -1.416600     -0.8977000       1.341600    
 H   -4.723800      0.9689000      0.7267000    
 H   -1.512700       2.718100      0.5761000    
 H   -3.266400       2.903900      0.5060000    
 H   -3.886800      -1.143700      -1.115000    
 H   -4.611800      0.4047000      -1.444500    
 H   -3.259700       2.374700      -1.709600    
 H   -1.527800       2.312300      -1.681700    
 H   0.1560000       1.034900      -1.386800    
 H   -3.566200      -1.824700       1.382100    
 H  -0.8294000      0.1075000      -3.170300    
 H   -5.573900      -2.036100       2.668600    
 H   -6.115000     -0.3266000       2.179500    
 H   0.1008000      -2.718600      -1.165400    
 H    1.607300       1.885700     -0.5805000    
 H    1.894900      -4.001300     -4.6200000E-02
 H    5.008200      -1.012900       1.534900    
 H    5.269700       1.421200       1.525900    
 H    4.403800       3.369400      0.9083000    


%chk=000051579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051579

0 1
O -0.416444 -0.575616 -2.856645
O 3.301293 2.971796 1.230400
N -2.513672 0.291464 -1.479498
N 3.169401 -2.547477 0.128723
C -2.682431 1.291081 0.906269
C -1.338037 -0.168902 -0.648850
C -1.317094 0.567543 0.724917
C -3.886004 0.314470 0.665854
C -2.767228 2.428214 -0.146841
C -3.765090 -0.203810 -0.829198
C -2.562566 1.790436 -1.565277
C -0.056358 -0.051186 -1.538814
C -3.936396 -0.823963 1.660103
C 1.101573 -0.859346 -0.969465
C 2.136968 -0.281103 -0.142875
C -4.942679 -1.048873 2.541619
C 1.162829 -2.231521 -1.237418
C 3.147495 -1.183345 0.389177
C 2.234806 1.112650 0.167374
C 2.201324 -3.032603 -0.673768
C 4.187922 -0.658028 1.220246
C 3.269497 1.588386 0.975701
C 4.254940 0.701666 1.517288
H -2.752792 1.707099 1.927003
H -1.502805 -1.253766 -0.496707
H -0.508076 1.320046 0.768945
H -1.125573 -0.145441 1.545606
H -4.817087 0.906284 0.770010
H -1.989604 3.187699 0.057719
H -3.748197 2.935310 -0.077990
H -3.758284 -1.307942 -0.861315
H -4.624697 0.142195 -1.430269
H -3.386771 2.053617 -2.251377
H -1.627901 2.139601 -2.036581
H 0.230891 1.017878 -1.631185
H -3.084875 -1.523805 1.641923
H -1.412200 -0.400844 -2.906372
H -4.923831 -1.898835 3.232897
H -5.816883 -0.387259 2.597533
H 0.421463 -2.675303 -1.907774
H 1.525569 1.840260 -0.235752
H 2.241940 -4.107966 -0.884162
H 4.926671 -1.367389 1.604580
H 5.059561 1.093528 2.153222
H 4.080630 3.210200 1.790624


