%chk=000044410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044410

0 1
 O   0.5368000      -4.758700      0.3383000    
 O   -4.856300      0.5375000     -0.3191000    
 N    2.897200       1.051000      0.1028000    
 N   0.9320000       2.986800     -0.1386000    
 N    2.231600       3.345700     -8.5500002E-02
 C    1.596800      0.7296000      4.7100000E-02
 C   0.6176000       1.680300     -7.2400004E-02
 C    1.323900     -0.6892000      0.1221000    
 C  -0.7935000       1.386800     -0.1357000    
 C    1.263900      -1.450800      -1.044900    
 C    1.119800      -1.295300       1.361800    
 C   -1.550200       1.322700       1.036700    
 C   -1.408700       1.164500      -1.370000    
 C   0.9997000      -2.818600     -0.9723000    
 C   0.8557000      -2.663100       1.434300    
 C   0.7956000      -3.424600      0.2674000    
 C   -2.914300       1.037900      0.9751000    
 C   -2.772800      0.8799000      -1.431500    
 C   -3.525700      0.8165000     -0.2590000    
 C    3.149800       2.366500      3.2200001E-02
 C    4.578400       2.785100      8.6999997E-02
 C   0.4884000      -5.477400     -0.8935000    
 C   -5.565800      0.4870000      0.9178000    
 H    1.420900     -0.9926000      -2.018700    
 H    1.163200     -0.7159000       2.281000    
 H   -1.088300       1.493000       2.006600    
 H  -0.8367000       1.210000      -2.293900    
 H   0.9669000      -3.350100      -1.917200    
 H   0.6972000      -3.129600       2.402800    
 H   -3.438900       1.003600       1.923700    
 H   -3.243300      0.7078000      -2.395700    
 H    5.181600       2.046300      0.6239000    
 H    4.972700       2.887700     -0.9282000    
 H    4.680400       3.745300      0.6023000    
 H    1.456200      -5.462600      -1.406200    
 H  -0.3263000      -5.123300      -1.534100    
 H   0.2720000      -6.522600     -0.6495000    
 H   -5.561800       1.458300       1.423900    
 H   -5.195400     -0.3181000       1.561400    
 H   -6.609500      0.2535000      0.6825000    


%chk=000044410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044410

0 1
O 1.212636 -5.033804 0.527161
O -5.058879 1.230491 -0.502248
N 2.845471 1.147077 0.430549
N 1.116796 2.780127 -0.974901
N 2.410679 3.176209 -0.802583
C 1.615830 0.653294 0.078237
C 0.649725 1.594116 -0.441214
C 1.438348 -0.812251 0.182326
C -0.821920 1.434249 -0.448129
C 0.536650 -1.530568 -0.647471
C 2.249866 -1.550700 1.093922
C -1.494622 0.698543 0.562369
C -1.605627 2.096009 -1.438177
C 0.432891 -2.933555 -0.571757
C 2.146646 -2.944982 1.190204
C 1.235909 -3.645888 0.356663
C -2.901238 0.605957 0.587009
C -3.004970 2.004684 -1.430717
C -3.661228 1.257385 -0.418165
C 3.179917 2.412006 0.066857
C 4.461538 3.020550 0.563627
C 0.305466 -5.812122 -0.322924
C -5.790033 0.488682 0.529081
H -0.080528 -0.994723 -1.374880
H 2.963981 -1.002699 1.715474
H -0.917219 0.201649 1.348798
H -1.091466 2.686807 -2.201754
H -0.261415 -3.454816 -1.237267
H 2.758837 -3.516042 1.894465
H -3.386900 0.039946 1.387174
H -3.613013 2.503211 -2.191459
H 4.345742 3.364239 1.609113
H 5.276345 2.278272 0.547185
H 4.726276 3.890529 -0.057233
H 0.557550 -5.690520 -1.393883
H -0.749869 -5.524173 -0.152864
H 0.458548 -6.858375 -0.021448
H -5.607489 0.913651 1.535055
H -5.516953 -0.584450 0.523197
H -6.851481 0.602786 0.265312


