%chk=000048668.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048668

1 1
 O   -1.391200     -0.2766000      0.6395000    
 O   -2.551500     -0.8900000      -1.266000    
 N    1.745100       1.134600     -5.1700000E-02
 N    1.524300      -2.063100     -0.6457000    
 N   -3.327100      0.9070000     -9.4999997E-03
 C   0.9096000      0.2488000     -0.9647000    
 C    1.988500       2.475300     -0.7295000    
 C    1.002900       1.355700       1.258400    
 C    3.079400      0.4587000      0.2289000    
 C   0.6210000      -1.099200     -0.3725000    
 C   0.6589000       3.142600      -1.005900    
 C    1.837900       2.236700       2.161700    
 C    3.812400      0.2417000      -1.076900    
 C  -0.5135000      -1.283000      0.3954000    
 C  -0.7380000      -2.550000      0.9226000    
 C    1.272800      -3.281500     -0.1163000    
 C   0.1674000      -3.573800      0.6665000    
 C   -2.444600     -0.1405000     -0.2959000    
 C   -3.193400       1.788100       1.146000    
 C   -4.460900       1.168600     -0.8846000    
 H  -4.2800002E-02  0.7457000      -1.155400    
 H    1.387600      0.1659000      -1.945700    
 H    2.671100       3.089700     -0.1375000    
 H    2.457300       2.297100      -1.701500    
 H   1.0100000E-02   1.769000       1.077800    
 H   0.9013000      0.3932000       1.767800    
 H    3.698500       1.127700      0.8323000    
 H    2.921300     -0.4652000      0.7923000    
 H   0.8695000       4.116300      -1.468100    
 H   3.3399999E-02   2.624200      -1.735600    
 H   7.1800001E-02   3.378000     -0.1165000    
 H    1.274800       2.386500       3.092400    
 H    2.783400       1.791400       2.478100    
 H    2.014500       3.242100       1.774800    
 H    4.122600       1.167400      -1.567700    
 H    3.307000     -0.3991000      -1.799900    
 H    4.751200     -0.2789000     -0.8465000    
 H   -1.614800      -2.745800       1.533500    
 H    2.009100      -4.044800     -0.3450000    
 H   1.3000000E-02  -4.569000       1.067300    
 H   -3.017700       2.806700      0.7879000    
 H   -4.123500       1.757700       1.721200    
 H   -2.368800       1.493200       1.797100    
 H   -4.384300       2.192000      -1.263200    
 H   -4.486300      0.4774000      -1.730700    
 H   -5.383700       1.058800     -0.3078000    


%chk=000048668-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048668

1 1
O -1.668855 -0.224606 0.693389
O -2.021432 0.028058 -1.637662
N 1.930207 1.163364 -0.125473
N 1.494271 -2.020742 -0.197722
N -3.599843 0.816217 -0.076987
C 0.892774 0.259600 -0.851646
C 2.049806 2.485855 -0.925542
C 1.431112 1.414421 1.321121
C 3.329296 0.482629 -0.057652
C 0.549474 -1.028495 -0.134063
C 0.808830 3.387755 -0.918144
C 2.242112 2.429129 2.136306
C 3.953025 0.104468 -1.404668
C -0.697524 -1.244869 0.511536
C -0.974875 -2.505268 1.086204
C 1.227381 -3.229434 0.366793
C 0.002319 -3.517727 1.013963
C -2.447756 0.200706 -0.467740
C -4.063353 0.943376 1.318954
C -4.492416 1.368074 -1.120250
H -0.006325 0.864821 -1.011050
H 1.324245 0.018870 -1.835029
H 2.922447 3.016375 -0.509168
H 2.294416 2.189854 -1.958451
H 0.375983 1.722336 1.234609
H 1.446563 0.427224 1.812569
H 3.974703 1.190964 0.487840
H 3.189150 -0.426725 0.547631
H 1.042865 4.277101 -1.529896
H -0.075248 2.912950 -1.375220
H 0.541591 3.749383 0.088139
H 1.759398 2.523260 3.125280
H 3.280388 2.107696 2.319755
H 2.255559 3.436603 1.688450
H 4.107865 0.962196 -2.079717
H 3.378008 -0.683142 -1.916869
H 4.950989 -0.319755 -1.193526
H -1.939355 -2.670629 1.575216
H 2.016152 -3.983996 0.286991
H -0.177884 -4.507617 1.442501
H -4.147837 2.010939 1.594457
H -5.060602 0.478052 1.423829
H -3.360879 0.449775 2.001483
H -4.647470 2.449497 -0.953638
H -4.041073 1.209541 -2.110043
H -5.472600 0.859216 -1.085657


