%chk=000040643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040643

0 1
 O  -0.6174000     -0.4141000     -0.6079000    
 O   -1.622600       2.264600     -0.6282000    
 O    2.825000     -0.5675000      0.3312000    
 O   -1.656800       2.353300       1.671800    
 O    1.816400     -2.7500000E-02  -1.673600    
 N    6.506800     -0.4078000      0.2605000    
 C   -1.778700      -3.001500     -0.8177000    
 C   -2.479100      -1.854900     -0.1659000    
 C   -1.873700     -0.6010000     -8.3600000E-02
 C   -2.543800      0.4582000      0.5288000    
 C   -3.754400      -2.049800      0.3643000    
 C   -3.819100      0.2632000       1.059100    
 C   -2.532200      -3.522800      -2.055100    
 C   -1.513300      -4.160300      0.1609000    
 C   -4.424500     -0.9908000      0.9769000    
 C   -1.907200       1.768300      0.6127000    
 C   -4.561300       1.378300       1.721400    
 C   0.4802000     -0.6442000      0.2528000    
 C  -0.9925000       3.549200     -0.6778000    
 C    5.167600     -0.6076000      0.8132000    
 C    4.106100     -0.3456000     -0.2433000    
 C    1.755000     -0.3712000     -0.5010000    
 C   -1.427700       4.271900      -1.943500    
 C   0.5168000       3.369100     -0.6184000    
 C    7.500700      -1.127000       1.056600    
 C    6.829800       1.017400      0.2056000    
 H  -0.7964000      -2.689700      -1.190100    
 H   -4.246400      -3.017100      0.3128000    
 H   -3.503300      -3.956100      -1.792800    
 H   -1.948300      -4.299400      -2.561300    
 H   -2.708300      -2.713600      -2.772600    
 H   -2.442300      -4.622800      0.5113000    
 H  -0.9160000      -4.941100     -0.3224000    
 H  -0.9606000      -3.810400       1.039700    
 H   -5.416900      -1.160300       1.386200    
 H   -4.099300       1.627300       2.682100    
 H   -4.581000       2.268500       1.083900    
 H   -5.605000       1.108300       1.917300    
 H   0.4919000      -1.684900      0.5922000    
 H   0.4342000      3.5300002E-02   1.110800    
 H   -1.315300       4.164700      0.1712000    
 H    4.989100      1.8000000E-03   1.709300    
 H    5.039400      -1.648600       1.141000    
 H    4.149200      0.6880000     -0.6028000    
 H    4.243700      -1.024200      -1.094300    
 H   -2.517000       4.384000      -1.962300    
 H  -0.9723000       5.264300      -2.013800    
 H   -1.155700       3.696100      -2.835000    
 H   0.8133000       2.855100      0.3019000    
 H    1.033500       4.332800     -0.6581000    
 H   0.8678000       2.750300      -1.451300    
 H    7.297800      -2.203800       1.048000    
 H    7.520700     -0.7864000       2.098300    
 H    8.502300     -0.9966000      0.6318000    
 H    6.151600       1.562200     -0.4582000    
 H    7.834900       1.163100     -0.2072000    
 H    6.799900       1.489000       1.194800    


%chk=000040643-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040643

0 1
O -0.450439 -0.765225 -0.711132
O -1.982410 2.590593 -0.524077
O 3.033336 -0.847442 0.235009
O -0.439425 1.757257 1.012041
O 1.951829 0.585840 -1.257686
N 6.737280 -0.335635 0.506454
C -1.846571 -3.336371 -0.712642
C -2.470457 -2.051747 -0.165050
C -1.753286 -0.829034 -0.139269
C -2.340998 0.379114 0.323793
C -3.801946 -2.024038 0.318964
C -3.682640 0.392488 0.793110
C -2.632031 -3.859790 -1.944889
C -1.742021 -4.429917 0.383880
C -4.392060 -0.833879 0.790638
C -1.485133 1.616008 0.326245
C -4.344053 1.666706 1.288066
C 0.664736 -0.939420 0.227997
C -1.128042 3.829944 -0.722731
C 5.376888 -0.822958 0.830095
C 4.349799 -0.265638 -0.162937
C 1.905378 -0.301506 -0.384762
C -2.114536 4.948261 -1.063272
C -0.106229 3.523955 -1.825890
C 7.798718 -1.230498 1.010778
C 6.967055 1.067972 0.909125
H -0.825322 -3.088369 -1.056102
H -4.389177 -2.949743 0.320674
H -3.668198 -4.136568 -1.673753
H -2.140877 -4.758739 -2.361704
H -2.680526 -3.093145 -2.738351
H -2.742744 -4.728826 0.748271
H -1.246102 -5.333092 -0.017641
H -1.160830 -4.074215 1.254468
H -5.424492 -0.848648 1.158147
H -3.757812 2.143298 2.096089
H -4.430709 2.407073 0.473071
H -5.353535 1.457495 1.680033
H 0.854656 -2.011833 0.426379
H 0.453992 -0.417435 1.181363
H -0.612345 4.019369 0.236882
H 5.061660 -0.566127 1.872153
H 5.371012 -1.925118 0.751485
H 4.269813 0.835252 -0.136987
H 4.584834 -0.577732 -1.194838
H -2.837457 5.105427 -0.243826
H -1.564914 5.892645 -1.229187
H -2.674306 4.706339 -1.983799
H 0.525830 2.659448 -1.561402
H 0.548873 4.401767 -1.979653
H -0.621121 3.303147 -2.777786
H 7.646384 -2.251164 0.617754
H 7.839731 -1.289957 2.128199
H 8.781650 -0.872387 0.655266
H 6.218571 1.733016 0.445748
H 7.963013 1.392551 0.559149
H 6.923002 1.216930 2.018239


