%chk=000017272.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017272

0 1
 O   -2.629600      -1.826800      0.5736000    
 O   -3.221900       1.446800     -0.6379000    
 N   -2.238400     -0.5238000      0.1583000    
 C    1.459400     -0.5869000     -7.0799999E-02
 C    1.757700      0.7812000      0.1342000    
 C  -0.9120000     -9.0700001E-02  0.1501000    
 C   0.1193000      -1.006700     -5.9700001E-02
 C   0.7072000       1.689300      0.3440000    
 C  -0.6185000       1.254700      0.3516000    
 C    2.509900      -1.495000     -0.2807000    
 C    3.097900       1.201100      0.1229000    
 C    3.835700      -1.060400     -0.2888000    
 C    4.129000      0.2852000     -8.7399997E-02
 C   -3.312300      0.2846000     -0.2422000    
 C   -4.683300     -0.3526000     -0.1672000    
 H  -0.1140000      -2.058000     -0.2216000    
 H   0.9149000       2.743400      0.5167000    
 H   -1.375100       1.997600      0.5799000    
 H    2.304200      -2.551400     -0.4404000    
 H    3.350600       2.248000      0.2781000    
 H    4.638900      -1.772900     -0.4524000    
 H    5.161300      0.6228000     -9.3800001E-02
 H   -4.723400      -1.235900     -0.8107000    
 H   -4.913100     -0.6288000      0.8656000    
 H   -5.438500      0.3603000     -0.5114000    
 H   -2.645000      -1.698300       1.537700    


%chk=000017272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017272

0 1
O -2.509805 -1.834853 0.182165
O -3.427142 1.612437 -0.260921
N -2.306460 -0.394400 0.133283
C 1.454805 -0.565040 -0.034063
C 1.810441 0.831457 0.106764
C -0.933208 0.023761 0.092892
C 0.075075 -0.943239 -0.039782
C 0.753456 1.791210 0.231674
C -0.587664 1.416276 0.228540
C 2.503609 -1.535575 -0.171443
C 3.193768 1.204951 0.111090
C 3.844047 -1.142930 -0.165734
C 4.193977 0.238350 -0.021806
C -3.479344 0.361108 -0.083422
C -4.781547 -0.423920 -0.075176
H -0.190006 -1.994720 -0.180546
H 1.010381 2.852387 0.332122
H -1.383147 2.157494 0.304424
H 2.237383 -2.593514 -0.283971
H 3.456605 2.264133 0.218744
H 4.636595 -1.891839 -0.272496
H 5.249440 0.531650 -0.018358
H -4.785766 -1.199057 -0.859881
H -4.941533 -0.938513 0.888979
H -5.600376 0.290014 -0.247791
H -2.332684 -2.090831 1.132415


