%chk=000129264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129264

0 1
 O  -0.3909000       2.226700     -0.1976000    
 O   -1.565100      -1.398300      -1.190000    
 N  -0.2545000     -4.0399998E-02  0.1800000    
 N    3.444400      0.2739000      0.3816000    
 N   -1.017500      -3.673900      7.9700001E-02
 C   -2.515200       1.065900      5.4800000E-02
 C  -0.9674000       1.149300     -1.8800000E-02
 C    1.055200      1.4400000E-02  0.8175000    
 C   -2.879500     -7.2400004E-02   1.033300    
 C   -3.123100       2.366000      0.6044000    
 C   -3.130000      0.7291000      -1.309300    
 C    2.145800      0.1893000     -0.2291000    
 C  -0.7981000      -1.277000     -0.2320000    
 C  -0.3773000      -2.475100      0.6074000    
 C    4.504700      0.3981000     -0.6196000    
 C    5.868500      0.5244000      3.7799999E-02
 H    1.245600     -0.8596000       1.443600    
 H    1.063400      0.8806000       1.492600    
 H   -3.862500      0.1359000       1.479600    
 H   -2.191200     -0.1365000       1.884400    
 H   -3.019600      -1.063700      0.5985000    
 H   -4.213000       2.299900      0.6953000    
 H   -2.894400       3.213300     -5.2200001E-02
 H   -2.712500       2.603100       1.592700    
 H   -2.377700      0.6873000      -2.104700    
 H   -3.708400     -0.2008000      -1.317700    
 H   -3.835100       1.510200      -1.621100    
 H    1.949200       1.093500     -0.8179000    
 H    2.106900     -0.6573000     -0.9269000    
 H    3.617400     -0.5472000      0.9607000    
 H   0.7022000      -2.628200      0.5351000    
 H  -0.6628000      -2.321300       1.651600    
 H    4.508000     -0.4774000      -1.279400    
 H    4.333300       1.286000      -1.239400    
 H    5.914200       1.405800      0.6862000    
 H    6.099400     -0.3587000      0.6430000    
 H    6.648200      0.6247000     -0.7240000    
 H  -0.7633000      -3.799900     -0.8992000    
 H   -2.030300      -3.562500      0.1029000    


%chk=000129264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129264

0 1
O -0.384579 2.056479 -0.147323
O -1.811175 -1.715447 -0.787631
N -0.397441 -0.205047 0.340640
N 3.403865 0.065656 0.277033
N -0.532878 -4.018160 0.134523
C -2.650019 1.151394 0.071547
C -1.099632 1.033125 0.035913
C 1.003795 -0.012488 0.838457
C -3.329861 0.164435 1.057402
C -2.964139 2.604055 0.544719
C -3.211994 0.976259 -1.373579
C 2.049305 0.037325 -0.300406
C -0.817539 -1.502791 -0.037972
C -0.006139 -2.712594 0.527054
C 4.480814 0.501023 -0.642130
C 5.843426 0.496095 0.071317
H 1.242917 -0.822335 1.549046
H 1.046149 0.939765 1.387503
H -4.396485 0.440182 1.150066
H -2.879904 0.230209 2.065810
H -3.284333 -0.877039 0.707248
H -4.058349 2.757788 0.522284
H -2.482475 3.348656 -0.108440
H -2.609112 2.776784 1.577181
H -2.753597 1.712447 -2.058695
H -3.022320 -0.040624 -1.748666
H -4.303161 1.155365 -1.354947
H 1.889341 0.968601 -0.870572
H 1.878975 -0.812500 -1.010535
H 3.646574 -0.819683 0.744875
H 1.047094 -2.640693 0.198740
H 0.002778 -2.641702 1.632437
H 4.540692 -0.131547 -1.563239
H 4.240468 1.528100 -0.978472
H 5.814440 1.152042 0.958808
H 6.117315 -0.523451 0.405622
H 6.640676 0.851609 -0.605724
H -0.478590 -4.177673 -0.878127
H -1.497902 -4.166422 0.452031


