%chk=000037808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037808

0 1
 O    1.637500       1.470900      0.7591000    
 N   -2.316300      -1.724400     -0.2470000    
 N   -3.133500      0.3530000      0.1953000    
 C   7.8199998E-02  0.4685000     -0.5164000    
 C   -1.166200      0.2358000      -1.274700    
 C    1.164000     -0.4330000     -0.3610000    
 C   0.4154000       1.605600      0.1807000    
 C   -2.241400     -0.3764000     -0.4256000    
 C    2.095800      0.2302000      0.4309000    
 C   -3.399700      -2.043900      0.6328000    
 C  -0.2676000       2.887700      0.4090000    
 C   -3.985000     -0.6502000      0.9060000    
 C    1.461900      -1.734700     -0.8010000    
 C    3.318100     -0.3139000      0.8212000    
 C   6.1000001E-02   3.942200     -0.6563000    
 C    2.684000      -2.308600     -0.4247000    
 C    3.593900      -1.608700      0.3718000    
 H   -1.545200       1.176400      -1.691900    
 H  -0.9772000     -0.4269000      -2.127600    
 H   -3.039100      -2.513200       1.552700    
 H   -4.130400      -2.700800      0.1523000    
 H   -1.352600       2.736300      0.4327000    
 H   8.2000000E-03   3.284300       1.393600    
 H   -1.691500      -2.415600     -0.6432000    
 H   -5.013500     -0.5783000      0.5362000    
 H   -3.990500     -0.4311000       1.978900    
 H   0.7672000      -2.293000      -1.421200    
 H    4.018600      0.2350000       1.439200    
 H    1.135800       4.151100     -0.6813000    
 H  -0.4663000       4.876200     -0.4390000    
 H  -0.2402000       3.600600      -1.652200    
 H    2.926700      -3.314200     -0.7587000    
 H    4.534200      -2.079400      0.6480000    


%chk=000037808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037808

0 1
O 1.656888 1.500566 0.676176
N -2.058435 -1.614269 0.192798
N -3.597976 -0.000187 -0.395488
C -0.000290 0.503488 -0.604310
C -1.299057 0.259333 -1.340322
C 1.100779 -0.444210 -0.455671
C 0.360973 1.649922 0.085182
C -2.355666 -0.431354 -0.497825
C 2.094126 0.205533 0.333301
C -3.222991 -1.990592 1.030236
C -0.306192 2.968958 0.317500
C -4.315461 -0.995530 0.480507
C 1.349127 -1.764377 -0.912793
C 3.312375 -0.381868 0.697688
C 0.436205 4.158296 -0.349692
C 2.570628 -2.378794 -0.558724
C 3.537924 -1.700268 0.235813
H -1.746950 1.202549 -1.691533
H -1.101667 -0.357632 -2.239196
H -3.015591 -1.826774 2.107299
H -3.504935 -3.048617 0.885643
H -1.342720 2.904609 -0.059323
H -0.376387 3.153270 1.407545
H -1.104383 -1.905775 0.406681
H -5.071964 -1.524494 -0.129227
H -4.847226 -0.465702 1.289684
H 0.621210 -2.293679 -1.538461
H 4.047898 0.153397 1.304766
H 1.469815 4.234423 0.029291
H -0.085547 5.107086 -0.131136
H 0.480809 4.032192 -1.446067
H 2.783772 -3.396478 -0.903842
H 4.475207 -2.205521 0.492101


