%chk=000052113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052113

0 1
 I    2.601200      -3.283500     -0.6176000    
 O    2.520900       2.025100      0.6227000    
 O    3.783700     -0.2845000     -0.1610000    
 N   -5.120900     -5.6800000E-02  0.7956000    
 N   -2.117800      0.6341000      -2.424800    
 C  -0.2912000     -0.3086000      0.6471000    
 C    1.814000      0.8674000      0.4969000    
 C   0.4462000      0.8689000      0.7707000    
 C    2.444500     -0.3118000      9.9500000E-02
 C   0.3392000      -1.487700      0.2499000    
 C    1.707000      -1.489400     -2.4100000E-02
 C   -1.717400     -0.3061000      0.9332000    
 C    2.606100       2.843400     -0.5377000    
 C   -2.649300     -1.4800000E-02  2.4700001E-02
 C   -4.012700     -3.7999999E-02  0.4513000    
 C   -2.353400      0.3422000      -1.326400    
 H  -3.7000000E-02   1.792800       1.081900    
 H  -0.2432000      -2.402500      0.1563000    
 H   -1.982700     -0.5663000       1.955600    
 H    3.204800       3.725200     -0.2927000    
 H    1.610400       3.174900     -0.8498000    
 H    3.096200       2.307100      -1.356600    
 H    4.061600      -1.179000     -0.4233000    


%chk=000052113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052113

0 1
I 3.112110 -3.183274 0.479035
O 2.047065 2.276450 -0.026172
O 3.796656 0.032959 0.154004
N -5.377762 -0.850203 0.530936
N -2.825216 2.733033 -0.076563
C -0.420241 -0.471459 0.302081
C 1.569456 0.969790 0.053078
C 0.175312 0.811755 0.125835
C 2.426071 -0.177639 0.168036
C 0.435335 -1.612944 0.392560
C 1.825633 -1.456221 0.321462
C -1.850717 -0.731372 0.388593
C 3.100095 2.607800 -1.015637
C -2.938682 0.128989 0.307176
C -4.271756 -0.404503 0.429344
C -2.858887 1.549464 0.099584
H -0.423537 1.721301 0.047439
H -0.000587 -2.608631 0.516426
H -2.117162 -1.786336 0.540727
H 3.215304 3.698306 -0.934658
H 2.763068 2.338668 -2.034163
H 4.044312 2.095377 -0.776249
H 4.284331 -0.829212 0.278526


