%chk=000081896.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081896

0 1
 O   -1.994600     -0.3698000      0.4327000    
 O   -2.236500      0.6199000      -1.632700    
 N  -6.9600001E-02   3.302800      0.9319000    
 C    2.616600      -2.016100      4.6100002E-02
 C    2.689300      -1.020700       1.203500    
 C    1.209300      -2.148500     -0.5436000    
 C    2.892900      0.4429000      0.8069000    
 C   0.7381000     -0.9584000      -1.378400    
 C    2.192500      0.9289000     -0.4611000    
 C   0.8127000      0.3660000     -0.6645000    
 C  -0.2869000       1.036900     -0.2898000    
 C   -1.607700      0.4269000     -0.6016000    
 C  -0.1650000       2.285000      0.3824000    
 C   -3.255600      -1.028000      0.2701000    
 C   -3.535500      -1.867700       1.498200    
 H    2.897000      -3.002200      0.4380000    
 H    3.348500      -1.772300     -0.7325000    
 H    3.523100      -1.304000       1.858700    
 H    1.786500      -1.107000       1.821500    
 H   0.4888000      -2.340100      0.2618000    
 H    1.191100      -3.037900      -1.186200    
 H    3.968500      0.6257000      0.6845000    
 H    2.583400       1.069700       1.653300    
 H  -0.2605000      -1.191700      -1.761000    
 H    1.361100     -0.8948000      -2.281200    
 H    2.808500      0.6507000      -1.327500    
 H    2.208000       2.025100     -0.4800000    
 H   -4.045300     -0.2786000      0.1456000    
 H   -3.219700      -1.670100     -0.6171000    
 H   -4.493600      -2.387000       1.407200    
 H   -2.743600      -2.609400       1.645900    
 H   -3.556100      -1.241700       2.396400    


%chk=000081896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081896

0 1
O -2.544688 -0.277820 0.729920
O -1.557323 -1.689844 -0.835663
N -0.434786 1.957403 2.105465
C 3.339145 -1.762262 -0.591645
C 3.171269 -1.160080 0.830730
C 1.997931 -2.090442 -1.294745
C 2.966772 0.377993 0.897629
C 1.120675 -0.865345 -1.714960
C 2.067231 0.988601 -0.231604
C 0.885154 0.099927 -0.573409
C -0.286883 0.172732 0.167290
C -1.478764 -0.701363 -0.060703
C -0.390917 1.143775 1.228999
C -3.809485 -1.068227 0.615876
C -4.811070 -0.424889 1.568494
H 3.910671 -2.707554 -0.509090
H 3.951201 -1.087862 -1.225653
H 4.059068 -1.408272 1.443874
H 2.313662 -1.666623 1.318120
H 1.393872 -2.740304 -0.632348
H 2.196764 -2.670543 -2.216869
H 3.947475 0.888636 0.841175
H 2.527744 0.636662 1.879064
H 0.172729 -1.251987 -2.118337
H 1.657497 -0.316973 -2.514455
H 2.678666 1.121388 -1.142044
H 1.734759 1.990129 0.097376
H -4.141803 -1.038223 -0.437718
H -3.584615 -2.118467 0.876596
H -5.769992 -0.973054 1.527279
H -4.438633 -0.449266 2.606477
H -4.997622 0.626655 1.292379


