%chk=000045148.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045148

0 1
 O    2.464600      0.5575000     -0.6570000    
 O  -2.8899999E-02  -1.398600      -1.722700    
 O    5.392700     -0.5377000       1.100900    
 O    4.225600      -1.519800     -0.5905000    
 N   0.3296000      -1.835800      0.5261000    
 C   -1.099100       1.094000      4.3299999E-02
 C   9.5299996E-02  0.4477000     -0.2824000    
 C   -2.352200      0.3739000      0.1135000    
 C    1.287600       1.169200     -0.3427000    
 C   -1.095500       2.465200      0.3083000    
 C    1.288200       2.538700     -7.7600002E-02
 C   9.6600004E-02   3.186600      0.2480000    
 C   0.1168000     -0.9857000     -0.5619000    
 C   -3.152100      0.2537000      -1.023000    
 C   -2.760300     -0.2004000       1.317500    
 C   -4.359900     -0.4407000     -0.9556000    
 C   -3.968200     -0.8949000       1.384800    
 C   -4.768000      -1.015000      0.2482000    
 C    3.504600      0.6158000      0.3168000    
 C   0.4009000      -3.274400      0.4078000    
 C    4.381800     -0.5995000      0.1980000    
 H   -2.014400       2.988400      0.5633000    
 H    2.207100       3.116300     -0.1288000    
 H   9.6900001E-02   4.253300      0.4525000    
 H   -2.848500      0.6946000      -1.969600    
 H   -2.148500     -0.1169000       2.212800    
 H   -4.982600     -0.5346000      -1.840500    
 H   -4.285900      -1.342500       2.321900    
 H   0.4738000      -1.428700       1.445800    
 H   -5.708300      -1.555900      0.3006000    
 H    4.112200       1.507400      0.1310000    
 H    3.088100      0.6356000       1.331200    
 H   3.9700001E-02  -3.716600       1.339100    
 H    1.445300      -3.553400      0.2474000    
 H  -0.2057000      -3.621100     -0.4323000    
 H    5.981900      -1.320000       1.044700    


%chk=000045148-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045148

0 1
O 2.431107 0.373578 -0.933351
O -0.497079 -1.320403 -2.066460
O 5.029472 0.160447 1.654099
O 2.983149 -0.932286 1.540455
N 0.712265 -2.018244 -0.195931
C -1.072263 0.954878 0.186471
C 0.094488 0.333564 -0.356906
C -2.413286 0.291355 0.275834
C 1.324402 1.041953 -0.329696
C -0.951030 2.264275 0.733323
C 1.432719 2.343455 0.203177
C 0.277550 2.950775 0.738744
C 0.076345 -1.064552 -0.959176
C -3.040450 -0.332775 -0.837233
C -3.120268 0.344331 1.510764
C -4.334890 -0.884015 -0.710996
C -4.410047 -0.214176 1.635580
C -5.025845 -0.829787 0.521033
C 3.731958 0.545330 -0.321855
C 0.825706 -3.412367 -0.633991
C 3.823984 -0.160870 1.034052
H -1.847024 2.750059 1.132433
H 2.381085 2.889604 0.186820
H 0.337221 3.965590 1.146204
H -2.509401 -0.387423 -1.791562
H -2.641952 0.804908 2.383318
H -4.803078 -1.355691 -1.582259
H -4.930207 -0.173177 2.599413
H 1.277416 -1.702926 0.601481
H -6.028895 -1.261841 0.612852
H 4.451745 0.073000 -1.012654
H 4.033383 1.602075 -0.197790
H 0.516229 -4.100701 0.172956
H 1.861572 -3.659396 -0.937191
H 0.163597 -3.549411 -1.503660
H 5.111524 -0.323437 2.520602


