%chk=000048151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048151

0 1
 O  -1.7100001E-02  5.7500001E-02   2.331400    
 O   0.4594000      0.2020000      -2.447900    
 O    3.573400      -1.847900      0.2163000    
 N    1.759500     -0.8861000       1.242700    
 N    1.993500     -0.8135000      -1.088400    
 C  -1.3000000E-03  0.2174000     -7.7399999E-02
 C  -0.2546000       1.730900     -6.1000001E-02
 C   -1.291200     -0.5403000     -0.2238000    
 C    1.041300       2.498800      0.1588000    
 C   0.5616000     -0.1941000       1.272400    
 C   0.8201000     -0.1151000      -1.312400    
 C   -2.456300      0.1184000     -0.3724000    
 C   -1.142700      -2.034500     -0.1754000    
 C   0.7866000       3.997000      0.1996000    
 C    2.513200      -1.225800      0.1294000    
 C   -3.826100     -0.4665000     -0.5626000    
 C   -4.519300     -0.6981000      0.7707000    
 H  -0.9340000       2.016600      0.7544000    
 H  -0.6866000       2.083500      -1.007900    
 H    1.758800       2.292600     -0.6432000    
 H    1.519400       2.211700       1.101500    
 H   -2.515200       1.200700     -0.3841000    
 H  -0.5023000      -2.400600     -0.9836000    
 H  -0.7296000      -2.372600      0.7796000    
 H   -2.101700      -2.549200     -0.2854000    
 H    2.133500      -1.174800       2.142600    
 H    2.540200      -1.048700      -1.912100    
 H   0.3466000       4.347300     -0.7397000    
 H   0.1072000       4.259100       1.017100    
 H    1.726200       4.536700      0.3547000    
 H   -3.780200      -1.403600      -1.127200    
 H   -4.423700      0.2214000      -1.172700    
 H   -5.524700      -1.099700      0.6083000    
 H   -3.966300      -1.413500       1.388600    
 H   -4.616000      0.2360000       1.334500    


%chk=000048151-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048151

0 1
O 0.095505 0.003687 2.389118
O 0.580485 0.297114 -2.460309
O 3.711049 -1.890600 0.178181
N 1.850583 -0.952840 1.238546
N 2.093443 -0.795819 -1.106049
C 0.008533 0.192015 -0.066551
C -0.222637 1.737257 0.007499
C -1.298217 -0.644368 -0.250663
C 1.074380 2.564448 0.166845
C 0.633421 -0.243095 1.281035
C 0.895133 -0.081512 -1.304315
C -2.520819 -0.048195 -0.265663
C -1.067171 -2.139139 -0.406279
C 0.771659 4.076265 0.241752
C 2.626583 -1.260780 0.108063
C -3.875998 -0.706441 -0.421356
C -4.821384 -0.366383 0.761007
H -0.886728 1.937374 0.867545
H -0.740191 2.044280 -0.919236
H 1.754574 2.372466 -0.686749
H 1.611404 2.256674 1.086529
H -2.576606 1.041629 -0.146030
H -0.521492 -2.368316 -1.342586
H -0.469700 -2.549770 0.430922
H -2.013808 -2.699428 -0.436966
H 2.238511 -1.258935 2.137382
H 2.658490 -0.990200 -1.939750
H 0.262834 4.423981 -0.676594
H 0.114457 4.305929 1.101175
H 1.698971 4.665486 0.358311
H -3.790122 -1.802809 -0.521930
H -4.339027 -0.342670 -1.362297
H -5.819221 -0.816627 0.608808
H -4.411309 -0.744604 1.714271
H -4.953987 0.726926 0.861735


