%chk=000097993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097993

0 1
 O    1.045500      -2.395100     -1.1500000E-02
 N    3.436000       2.013800      0.9893000    
 C    1.162300     -0.9727000      7.4500002E-02
 C    2.072000     -0.4817000      -1.066100    
 C  -0.2306000     -0.3881000      4.3000001E-02
 C    2.248700       1.036600      -1.143300    
 C  -0.7074000      0.2890000       1.153500    
 C   -1.003900     -0.5407000      -1.096300    
 C   -2.784600      0.6834000     -1.5400000E-02
 C   -1.993400      0.8285000       1.124000    
 C   -2.289800     -1.1000000E-03  -1.125600    
 C   -4.159100       1.261100     -4.7100000E-02
 C   0.2927000      -2.914700       1.072100    
 C    2.911300       1.581600      4.8900001E-02
 H    1.657800     -0.7343000       1.025000    
 H    3.053500     -0.9629000     -0.9538000    
 H    1.693500     -0.8435000      -2.030800    
 H    1.285800       1.534600      -1.297400    
 H    2.859500       1.270600      -2.023600    
 H  -0.1006000      0.4090000       2.046200    
 H  -0.6387000      -1.078700      -1.965800    
 H   -2.366800       1.361400       1.994500    
 H   -2.896900     -0.1208000      -2.019100    
 H   -4.821800      0.6691000     -0.6874000    
 H   -4.606200       1.272300      0.9528000    
 H   -4.126800       2.286500     -0.4284000    
 H  -0.7809000      -2.753800      0.9379000    
 H   0.6301000      -2.513100       2.033400    
 H   0.4505000      -3.997600       1.093300    


%chk=000097993-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097993

0 1
O 1.148111 -2.443414 -0.158323
N 3.420186 1.890084 1.303016
C 1.150745 -0.987506 0.076619
C 2.061147 -0.434253 -1.042579
C -0.256072 -0.392569 0.051698
C 2.270016 1.102548 -0.972630
C -0.660155 0.567328 1.010362
C -1.178738 -0.777356 -0.954437
C -2.875515 0.767767 -0.051801
C -1.950733 1.141505 0.956390
C -2.468561 -0.208169 -1.000590
C -4.253358 1.403435 -0.124679
C 0.521850 -3.201053 0.929427
C 2.908147 1.543936 0.281683
H 1.618404 -0.774134 1.064828
H 3.033036 -0.955514 -0.983795
H 1.607950 -0.679507 -2.020549
H 1.297603 1.621470 -1.068675
H 2.901609 1.429752 -1.819753
H 0.034868 0.865061 1.806172
H -0.883847 -1.544083 -1.680752
H -2.245402 1.882596 1.709429
H -3.173781 -0.524440 -1.779350
H -4.996819 0.711935 -0.558911
H -4.612152 1.708640 0.874059
H -4.239411 2.310958 -0.759428
H -0.551278 -2.947792 1.039632
H 1.038433 -3.015805 1.894570
H 0.625421 -4.262721 0.655167


