%chk=000137319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137319

0 1
 O   -1.704100       2.516200      0.7627000    
 O   -3.534000      -1.748600     -7.4600004E-02
 N    3.394600      -1.516400       1.010700    
 C   5.4299999E-02 -0.6210000     -0.5850000    
 C  -0.1584000      0.8456000     -0.1760000    
 C   -1.202400      -1.467200     -0.5383000    
 C    1.161100      -1.271200      0.2260000    
 C   -1.495400       1.230900      0.2880000    
 C   0.8545000       1.736100     -0.2479000    
 C   -2.384300     -0.9965000     -0.1204000    
 C    2.441800     -0.8467000      0.2875000    
 C   -2.526100      0.3699000      0.3169000    
 C    2.200800       1.445600     -0.6950000    
 C    2.897500      0.3234000     -0.4546000    
 H   0.3564000     -0.6330000      -1.643400    
 H   -1.124700      -2.498200     -0.8760000    
 H   0.8967000      -2.165200      0.7911000    
 H   0.6928000       2.780000      1.1600000E-02
 H   -3.502500      0.6771000      0.6805000    
 H    2.690200       2.252500      -1.235600    
 H    3.919300      0.2748000     -0.8276000    
 H    3.142300      -2.346600       1.532600    
 H    4.349700      -1.180800       1.027900    
 H   -2.631900       2.603500       1.040600    
 H   -3.321600      -2.644200     -0.3897000    


%chk=000137319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137319

0 1
O -1.570044 2.514332 0.833404
O -3.600355 -1.765773 -0.115309
N 3.453076 -1.556622 0.943796
C 0.053207 -0.649684 -0.604554
C -0.174454 0.806515 -0.166330
C -1.201235 -1.504423 -0.616604
C 1.113490 -1.243053 0.323719
C -1.485016 1.193089 0.356396
C 0.828864 1.748609 -0.338222
C -2.397372 -1.025256 -0.157767
C 2.439470 -0.851956 0.259202
C -2.555694 0.326270 0.366346
C 2.183293 1.462586 -0.755736
C 2.902531 0.296827 -0.525106
H 0.477890 -0.608248 -1.632389
H -1.098253 -2.535593 -0.980242
H 0.794205 -2.013359 1.038478
H 0.574397 2.797640 -0.145708
H -3.538379 0.606315 0.762981
H 2.733170 2.296746 -1.214708
H 3.960077 0.279751 -0.827420
H 3.224347 -2.426430 1.418199
H 4.296566 -1.072496 1.239758
H -2.493577 2.720468 1.123971
H -3.453606 -2.676254 -0.474154


