%chk=000049132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049132

0 1
 O  -0.2864000      0.2976000      -2.072100    
 O   0.9997000     -0.9344000       2.272800    
 O    3.987100       1.058300     -0.5838000    
 N    1.819700      0.7664000      -1.292600    
 N    2.462200      0.1504000      0.8776000    
 C   7.2300002E-02  0.1688000      0.3226000    
 C   -1.076900     -0.8484000      0.3744000    
 C  -0.4245000       1.525000      0.8545000    
 C  -0.6360000      -2.197100     -0.1785000    
 C   0.4965000      0.3856000      -1.126500    
 C    1.198500     -0.2872000       1.245100    
 C   -1.773500      -3.214800     -9.7499996E-02
 C   -1.578700       2.019600      4.6000000E-02
 C    2.832900      0.6997000     -0.3439000    
 C   -1.340000      -4.577300     -0.6145000    
 C   -2.794200       2.256400      0.5602000    
 C   -3.958700       2.731300     -0.2438000    
 H   -1.941900     -0.5187000     -0.2139000    
 H   -1.433300     -0.9737000       1.405500    
 H  -0.6949000       1.440500       1.915600    
 H   0.3734000       2.277800      0.8065000    
 H  -0.3192000      -2.115400      -1.223700    
 H   0.2207000      -2.588500      0.3811000    
 H   -2.630900      -2.864200     -0.6836000    
 H   -2.109700      -3.317700      0.9409000    
 H   -1.412800       2.252900      -1.001800    
 H    2.096400       1.050100      -2.228400    
 H    3.212500     -2.0000000E-02   1.541500    
 H  -0.5054000      -4.972900     -2.7000001E-02
 H   -1.026100      -4.518000      -1.661600    
 H   -2.168900      -5.288900     -0.5484000    
 H   -2.978600       2.064500       1.613900    
 H   -4.773100       2.002700     -0.1855000    
 H   -3.704900       2.874800      -1.298900    
 H   -4.320900       3.684800      0.1527000    


%chk=000049132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049132

0 1
O -0.174727 0.493068 -2.179825
O 0.911086 -0.596287 2.419733
O 4.189357 0.694727 -0.609055
N 1.965499 0.662819 -1.333042
N 2.502725 0.084015 0.891526
C 0.071845 0.208772 0.254134
C -1.044744 -0.872340 0.263291
C -0.507896 1.607332 0.780721
C -0.574871 -2.276928 -0.175106
C 0.581454 0.436485 -1.175824
C 1.167417 -0.159969 1.268216
C -1.730987 -3.303690 -0.160584
C -1.718597 2.112497 0.030259
C 2.972872 0.501308 -0.366174
C -1.282655 -4.715224 -0.595388
C -2.920347 2.351472 0.619254
C -4.139305 2.895229 -0.089385
H -1.851719 -0.522236 -0.404170
H -1.452220 -0.920121 1.290509
H -0.756838 1.454033 1.846984
H 0.311572 2.355006 0.735060
H -0.151409 -2.230614 -1.199421
H 0.230536 -2.636306 0.497555
H -2.540542 -2.947891 -0.829503
H -2.163369 -3.349038 0.859577
H -1.596127 2.305673 -1.044268
H 2.290457 0.904475 -2.275204
H 3.223873 -0.086758 1.600228
H -0.491886 -5.104090 0.073445
H -0.876849 -4.703573 -1.624536
H -2.125010 -5.430646 -0.573301
H -3.033744 2.143408 1.695358
H -4.994862 2.198039 0.002050
H -3.943638 3.060987 -1.163011
H -4.463950 3.856367 0.354796


