%chk=000126518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126518

0 1
 O    3.355900       1.431500       1.262200    
 O   -3.280200     -0.4451000      3.4600001E-02
 O   -4.728300       1.159100      0.8280000    
 N    1.593700      -1.331600     -0.2793000    
 N   0.3274000       1.952000      0.2858000    
 N    1.916600       1.057400      -1.072800    
 N  -0.7881000      -1.545000     -0.2106000    
 N   0.5378000      -3.397400     -0.5688000    
 N    1.122000       3.286500      -1.453500    
 N   -5.463200     -0.5241000     -0.5554000    
 C    1.626200      9.4400004E-02  5.3500000E-02
 C   0.2852000      0.5572000      0.6604000    
 C    2.815200      0.1446000       1.045800    
 C    3.814500     -0.7896000      0.3747000    
 C    2.927000      -1.929100     -0.1195000    
 C  -0.9185000     -9.3999997E-02 -4.6399999E-02
 C   0.4041000      -2.044800     -0.3507000    
 C    1.170800       2.102000     -0.7818000    
 C   -2.209700      0.1633000      0.7314000    
 C   -4.508300      0.1529000      0.1622000    
 H   0.2487000      0.4178000       1.746300    
 H    2.528700     -0.2764000       2.018700    
 H    4.596400      -1.131200       1.060000    
 H    4.317400     -0.2889000     -0.4617000    
 H    3.296300      -2.344500      -1.062100    
 H    2.898600      -2.721800      0.6370000    
 H   -1.051400      0.3206000      -1.055600    
 H  -0.3968000       2.612600      0.5415000    
 H   -2.359600       1.243100      0.8442000    
 H   -2.154000     -0.2878000       1.729000    
 H    2.652300       1.982000       1.645500    
 H    1.435000      -3.836600     -0.7387000    
 H  -0.2804000      -3.994500     -0.6234000    
 H    1.707900       3.457300      -2.263400    
 H   0.5058000       4.036000      -1.158300    
 H   -5.231700      -1.353300      -1.091900    
 H   -6.429500     -0.2159000     -0.5711000    


%chk=000126518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126518

0 1
O 2.987189 1.722667 1.202490
O -3.506635 -0.374606 0.164220
O -3.007981 1.931506 0.255639
N 1.720916 -1.420064 -0.226918
N -0.172048 1.625584 0.477024
N 1.421090 0.909507 -1.077662
N -0.564913 -2.158091 0.116195
N 1.139701 -3.714022 -0.239222
N 0.212014 2.930509 -1.519215
N -4.851238 1.095111 -0.917088
C 1.456186 -0.010190 0.104577
C 0.085932 0.200217 0.821582
C 2.701249 0.312150 1.007705
C 3.835684 -0.384507 0.239128
C 3.180908 -1.720324 -0.204450
C -0.997646 -0.751754 0.212326
C 0.718652 -2.385157 -0.121839
C 0.509722 1.819542 -0.760565
C -2.321929 -0.687533 1.017049
C -3.727957 0.964820 -0.136419
H 0.173156 0.048097 1.912311
H 2.532659 -0.185436 1.990738
H 4.737289 -0.542598 0.851955
H 4.089521 0.244718 -0.629683
H 3.545953 -2.038906 -1.200002
H 3.388413 -2.529950 0.524313
H -1.202952 -0.362368 -0.811621
H -1.158779 1.937979 0.549370
H -2.286006 0.060929 1.829874
H -2.548837 -1.687428 1.412396
H 2.125294 2.204747 1.310283
H 2.012090 -3.954326 -0.701300
H 0.395017 -4.406543 -0.201664
H 0.750878 3.092592 -2.364600
H -0.568434 3.537320 -1.286295
H -5.381588 0.271277 -1.191281
H -5.138769 2.023229 -1.213549


