%chk=000126798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126798

0 1
 O    2.231500       1.920000     -0.1416000    
 O   -3.005500      -1.831200      2.6600000E-02
 N   0.2370000      0.8862000     -6.3699998E-02
 N    2.077800     -0.4371000     -0.2605000    
 N   -1.865600       1.589300      0.1157000    
 N   3.0600000E-02  -1.453400     -0.1773000    
 N    1.276000      -1.560600     -0.2675000    
 N   -4.243400      7.5599998E-02  0.1923000    
 C  -0.5374000     -0.2376000     -7.2899997E-02
 C    1.614900      0.8664000     -0.1577000    
 C    3.512300     -0.6345000     -0.3689000    
 C   -1.830700      0.2207000      3.8600001E-02
 C  -0.6059000       1.961100      5.1600002E-02
 C    4.124600     -0.7830000       1.010700    
 C   -3.016100     -0.5819000      7.4500002E-02
 H    3.700400      -1.529700     -0.9718000    
 H    3.966100      0.2189000     -0.8849000    
 H  -0.2496000       2.981800      8.3400004E-02
 H    3.952800      0.1105000       1.620100    
 H    3.694100      -1.637500       1.543700    
 H    5.204900     -0.9394000      0.9323000    
 H   -4.309800       1.087200      0.2445000    
 H   -5.112800     -0.4459000      0.2299000    


%chk=000126798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126798

0 1
O 2.337739 1.925367 -0.064441
O -3.209522 -1.915018 -0.068946
N 0.210349 0.896850 -0.036821
N 2.112161 -0.419855 -0.283910
N -1.936680 1.539564 0.160471
N 0.012392 -1.541756 -0.252744
N 1.312082 -1.644292 -0.347641
N -4.301365 0.142944 0.177097
C -0.580116 -0.297470 -0.096027
C 1.637397 0.888473 -0.123023
C 3.571444 -0.671576 -0.364042
C -1.913667 0.142194 0.030167
C -0.658741 1.967045 0.117595
C 4.235421 -0.704706 1.025886
C -3.180556 -0.654254 0.039080
H 3.680959 -1.638670 -0.880412
H 4.014842 0.123516 -0.987480
H -0.316911 2.995287 0.190883
H 4.130824 0.266500 1.538816
H 3.790453 -1.494913 1.654819
H 5.313165 -0.918200 0.913506
H -4.195985 1.155780 0.258987
H -5.219483 -0.296913 0.195281


