%chk=000118167.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118167

0 1
 O    1.816000       1.457300      -2.333300    
 O   -2.012100      -2.255700      0.6458000    
 O   -4.244100       1.487600       1.543100    
 O   -2.745200      -1.923700      -1.510900    
 O   -4.594000     -0.1769000      3.5300002E-02
 N    4.251200      -2.524900     -0.3854000    
 C    1.625300       1.613400     -0.9161000    
 C   0.2058000       1.356800     -0.5375000    
 C    2.629800      0.7688000     -0.1381000    
 C  -0.3330000      7.8000002E-02 -0.6779000    
 C  -0.5835000       2.395900     -4.4500001E-02
 C   -1.661100     -0.1619000     -0.3254000    
 C   -2.450400      0.8772000      0.1676000    
 C    2.967900     -0.4755000     -0.6241000    
 C   -1.911600       2.156100      0.3082000    
 C    3.163700       1.278900       1.025300    
 C    3.885200      -1.247800      8.8200003E-02
 C    4.081000      0.5067000       1.737900    
 C    4.441800     -0.7567000       1.269200    
 C   -2.195700      -1.508300     -0.4841000    
 C   -3.841000      0.6577000      0.5436000    
 C   -2.496000      -3.602700      0.6130000    
 H    1.870400       2.667200     -0.7296000    
 H   0.2578000     -0.7394000      -1.079900    
 H  -0.1796000       3.398600      6.7900002E-02
 H    2.546200     -0.8624000      -1.547400    
 H   -2.503600       2.989900      0.6764000    
 H    2.886100       2.260000       1.398200    
 H    4.513800      0.8887000       2.657800    
 H    1.000200       1.733700      -2.784600    
 H    5.157700      -1.348700       1.833500    
 H    3.846700      -2.883000      -1.240300    
 H    4.915000      -3.085500      0.1321000    
 H   -5.180800       1.333300       1.790300    
 H   -3.578400      -3.610300      0.4545000    
 H   -2.277900      -4.066500       1.578500    
 H   -1.986000      -4.167500     -0.1729000    


%chk=000118167-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118167

0 1
O 1.780587 1.088533 -2.476964
O -2.668318 -2.131529 0.830973
O -4.332855 1.609761 1.562842
O -2.151494 -2.339923 -1.435539
O -4.656057 -0.212632 0.164632
N 5.102236 -2.099085 -0.678243
C 1.658430 1.503332 -1.067801
C 0.233544 1.265024 -0.561900
C 2.699842 0.726241 -0.257341
C -0.367510 -0.009339 -0.710216
C -0.504664 2.305168 0.048973
C -1.678667 -0.251375 -0.253832
C -2.432506 0.811858 0.329286
C 3.423933 -0.327438 -0.845648
C -1.825863 2.082199 0.486802
C 2.917984 1.075954 1.100189
C 4.383280 -1.058461 -0.086521
C 3.867463 0.351560 1.853451
C 4.597923 -0.707513 1.277059
C -2.204022 -1.653184 -0.389341
C -3.877716 0.640571 0.651542
C -3.315301 -3.463740 0.792675
H 1.877020 2.590193 -0.979854
H 0.201602 -0.823384 -1.170267
H -0.052660 3.297141 0.168260
H 3.249167 -0.564011 -1.899897
H -2.410537 2.890504 0.933464
H 2.350128 1.890424 1.564413
H 4.041608 0.613163 2.903582
H 1.031173 1.481004 -2.991679
H 5.333197 -1.260458 1.874667
H 4.947202 -2.349643 -1.650039
H 5.789507 -2.625441 -0.147637
H -5.307409 1.472372 1.708028
H -4.276997 -3.382514 0.258698
H -3.469374 -3.733155 1.846677
H -2.666277 -4.193779 0.280906


