%chk=000050037.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050037

0 1
 O    2.053400     -0.5143000      6.9200002E-02
 O   -5.647000      6.8099998E-02 -6.3699998E-02
 O   0.7264000       1.341000      0.2336000    
 N    5.659900      0.2310000      0.2224000    
 N  -0.1707000     -0.8064000     -1.9300001E-02
 C    4.444000     -0.5755000      0.1232000    
 C    3.207700      0.3072000      0.1861000    
 C    5.704700       1.222200     -0.8520000    
 C    6.845400     -0.6241000      0.1788000    
 C   -1.566500     -0.5834000     -3.1099999E-02
 C   0.8390000      0.1279000      0.1069000    
 C   -2.425200      -1.662100     -0.1690000    
 C   -2.048800      0.7096000      9.5500000E-02
 C   -4.303100     -0.1463000     -5.4099999E-02
 C   -3.802700      -1.442200     -0.1806000    
 C   -3.426200      0.9295000      8.3999999E-02
 C   -6.090300       1.417800      7.0000000E-02
 H    4.399000      -1.296000      0.9501000    
 H    4.425000      -1.171600     -0.7995000    
 H    3.172200       1.022000     -0.6415000    
 H    3.174400      0.8511000       1.138000    
 H    4.994300       2.037900     -0.6856000    
 H    5.529100      0.7808000      -1.839800    
 H    6.687000       1.710200     -0.8790000    
 H    7.755700     -2.8899999E-02  0.3122000    
 H    6.926400      -1.171900     -0.7672000    
 H    6.826000      -1.351500      0.9981000    
 H   0.1239000      -1.775200     -0.1157000    
 H   -2.046000      -2.675500     -0.2682000    
 H   -1.432600       1.590000      0.2060000    
 H   -4.480900      -2.284200     -0.2882000    
 H   -3.748100       1.960400      0.1869000    
 H   -5.801900       1.842100       1.037700    
 H   -7.184800       1.402800      4.1099999E-02
 H   -5.756900       2.036100     -0.7704000    


%chk=000050037-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050037

0 1
O 2.073609 -0.480065 0.145932
O -5.792531 -0.044584 -0.096374
O 0.753441 1.469274 0.311605
N 5.756952 0.183241 0.068308
N -0.170216 -0.699790 0.041568
C 4.474746 -0.542406 -0.081951
C 3.292910 0.353060 0.312529
C 6.009288 1.153367 -1.017863
C 6.905370 -0.722606 0.272432
C -1.572578 -0.450340 0.014975
C 0.850141 0.222944 0.179609
C -2.435905 -1.567730 -0.155191
C -2.132855 0.843095 0.151482
C -4.388464 -0.102937 -0.050053
C -3.828923 -1.397851 -0.187455
C -3.534917 1.013734 0.118658
C -6.412915 1.273397 0.047006
H 4.486225 -1.418541 0.591637
H 4.315321 -0.927849 -1.120064
H 3.198861 1.251124 -0.322334
H 3.377359 0.673017 1.365610
H 5.183347 1.881397 -1.087992
H 6.127592 0.666428 -2.019659
H 6.933250 1.717664 -0.799610
H 7.813365 -0.126343 0.474609
H 7.117942 -1.381275 -0.608004
H 6.721519 -1.369051 1.148664
H 0.136365 -1.670223 -0.052587
H -2.015006 -2.575364 -0.262998
H -1.473087 1.703509 0.281311
H -4.500598 -2.251401 -0.317844
H -3.941390 2.023772 0.226423
H -6.166558 1.731255 1.025166
H -7.495840 1.090383 -0.013902
H -6.104019 1.956297 -0.768744


