%chk=000022890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022890

0 1
 O    3.175100     -0.6047000     -0.7705000    
 O    3.575800      0.7176000       1.099500    
 N   -2.287700      7.7699997E-02  4.3000001E-02
 N    5.333600     -0.1834000     -0.1173000    
 C  -0.8993000     -9.4400004E-02 -0.1623000    
 C  -0.2338000      -1.165600      0.4339000    
 C  -0.1957000      0.8058000     -0.9623000    
 C   -3.240800     -0.5403000     -0.8542000    
 C   -2.769000      0.8622000       1.160400    
 C    1.135500      -1.336600      0.2300000    
 C    1.173500      0.6349000      -1.166200    
 C    1.839200     -0.4362000     -0.5701000    
 C  -0.9605000      -2.144900       1.297500    
 C  -0.8817000       1.961600      -1.615500    
 C   -4.113200      -1.465900     -6.8800002E-02
 C   -3.578700       2.004000      0.6356000    
 C   -4.209800      -2.779700     -0.3028000    
 C   -3.285600       3.290700      0.8555000    
 C    4.002600      4.4100001E-02  0.1663000    
 C    6.420500      0.3530000      0.6683000    
 H   -3.858200      0.2071000      -1.363600    
 H   -2.723000      -1.088000      -1.652900    
 H   -3.375100      0.2621000       1.847100    
 H   -1.928800       1.235300       1.761300    
 H    1.662300      -2.170100      0.6882000    
 H    1.730700       1.332100      -1.787300    
 H  -0.2642000      -2.688400       1.946700    
 H   -1.675000      -1.655700       1.965300    
 H   -1.475900      -2.883500      0.6781000    
 H   -1.850900       1.680400      -2.037100    
 H  -0.2889000       2.349200      -2.452100    
 H   -1.010900       2.777100     -0.8990000    
 H   -4.764200      -1.044900      0.6927000    
 H   -4.498200       1.784500      9.9399999E-02
 H   -4.888100      -3.393200      0.2800000    
 H   -3.618100      -3.264400      -1.071400    
 H   -3.931700       4.074200      0.4750000    
 H   -2.402600       3.584900       1.411900    
 H    5.561500     -0.7589000     -0.9222000    
 H    7.036600      0.9771000      1.6500000E-02
 H    6.051000      0.9457000       1.508300    
 H    7.018600     -0.4831000       1.038600    


%chk=000022890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022890

0 1
O 3.116122 0.219746 -0.532369
O 3.938451 -0.935944 1.393954
N -2.538437 0.150084 0.064189
N 5.333319 -0.045149 -0.272687
C -1.108373 0.148343 -0.047579
C -0.300165 -0.489880 0.947839
C -0.475662 0.788856 -1.164815
C -3.370393 -0.599711 -0.899961
C -3.216090 0.865485 1.164955
C 1.112498 -0.479961 0.836519
C 0.931723 0.766957 -1.268404
C 1.713687 0.143135 -0.275797
C -0.927780 -1.214170 2.125186
C -1.284836 1.516981 -2.222342
C -3.661748 -2.023297 -0.442610
C -3.658722 2.267584 0.766390
C -3.279661 -3.138709 -1.113302
C -3.258741 3.406504 1.385112
C 4.118921 -0.321267 0.314373
C 6.600265 -0.463153 0.329985
H -4.325005 -0.052935 -1.055263
H -2.862174 -0.633874 -1.880288
H -4.098332 0.275615 1.495387
H -2.538867 0.934881 2.034579
H 1.729196 -0.969115 1.592015
H 1.436188 1.253988 -2.109358
H -0.260842 -2.012437 2.492895
H -1.119965 -0.532985 2.978168
H -1.893342 -1.663600 1.836050
H -1.617684 0.838256 -3.032794
H -0.686654 2.315961 -2.693294
H -2.188749 1.966785 -1.776459
H -4.204601 -2.121846 0.510572
H -4.341473 2.329537 -0.095754
H -3.492349 -4.145054 -0.734714
H -2.731237 -3.074842 -2.061962
H -3.593552 4.395676 1.052205
H -2.575341 3.381032 2.243687
H 5.319696 0.465744 -1.155368
H 7.244467 0.407079 0.554413
H 6.371547 -0.984890 1.272707
H 7.151598 -1.156014 -0.332560


