%chk=000031517.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031517

0 1
 O   -2.554200     -0.6633000     -0.2784000    
 O  -0.3761000      -1.454800      0.3847000    
 O    1.828900      0.3229000      0.9522000    
 O    2.439500      0.2437000      -1.289800    
 N    3.939000     -0.3777000      0.3678000    
 C   -1.727000      -1.818100      7.1000000E-03
 C   -1.676300      0.3560000     -6.4999998E-02
 C  -0.4329000     -9.6000001E-02  0.3134000    
 C   -1.660000      -2.685200      -1.249300    
 C   -2.360300      -2.590300       1.163900    
 C   -1.950400       1.701300     -0.1990000    
 C   0.6056000      0.7724000      0.5789000    
 C  -0.9159000       2.602400      6.4000003E-02
 C   0.3548000       2.140600      0.4506000    
 C   -3.295500       2.186800     -0.6086000    
 C    2.725500      7.4600004E-02 -0.1081000    
 C    5.055300     -0.7154000     -0.4844000    
 H   -1.204900      -2.127200      -2.075900    
 H   -1.046000      -3.576800      -1.085000    
 H   -2.659700      -2.989400      -1.576500    
 H   -3.386000      -2.891400      0.9268000    
 H   -1.772200      -3.478300       1.418400    
 H   -2.406400      -1.964400       2.062600    
 H   -1.078500       3.673600     -2.6699999E-02
 H    1.143800       2.861500      0.6503000    
 H   -4.053100       1.861400      0.1118000    
 H   -3.335500       3.280100     -0.6599000    
 H   -3.554500       1.799000      -1.599200    
 H    4.053900     -0.4780000       1.371600    
 H    5.315300      -1.761700     -0.3069000    
 H    5.900400     -8.0899999E-02 -0.2066000    
 H    4.811200     -0.5674000      -1.539000    


%chk=000031517-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031517

0 1
O -2.514435 -0.651292 -0.010831
O -0.247031 -1.244831 0.510363
O 1.980330 0.797002 0.723052
O 2.255332 -0.439674 -1.297921
N 3.879851 -0.398035 0.408724
C -1.562370 -1.827927 0.036446
C -1.695708 0.506329 0.024836
C -0.364101 0.143951 0.309773
C -1.370846 -2.368865 -1.379642
C -2.058549 -2.817737 1.077815
C -2.117482 1.833768 -0.145560
C 0.636216 1.118782 0.401918
C -1.089211 2.814215 -0.026828
C 0.257278 2.471824 0.232128
C -3.563296 2.179732 -0.430699
C 2.681809 -0.078732 -0.179783
C 4.871263 -1.247168 -0.254742
H -0.975637 -1.577340 -2.037743
H -0.648877 -3.202945 -1.369066
H -2.334060 -2.727542 -1.781315
H -3.037919 -3.224080 0.773300
H -1.342214 -3.651015 1.174912
H -2.164386 -2.319277 2.054283
H -1.355930 3.868948 -0.155031
H 1.031637 3.241559 0.299184
H -4.226085 1.843981 0.388557
H -3.692571 3.268154 -0.553796
H -3.920337 1.682167 -1.351435
H 4.054945 -0.025097 1.341951
H 5.060984 -2.170030 0.324105
H 5.827314 -0.710780 -0.399011
H 4.471886 -1.528045 -1.242144


