%chk=000049214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049214

0 1
 O  -0.2062000      0.3981000       2.379200    
 O  -0.2173000      0.3167000      -2.425300    
 O  -0.9670000      -3.470000      4.3499999E-02
 N  -0.5861000      -1.513300       1.181500    
 N  -0.5890000      -1.553800      -1.162000    
 C  -0.2029000      0.5971000     -2.6799999E-02
 C    1.143200       1.333900     -4.6500001E-02
 C    2.304800      0.3515000      3.4499999E-02
 C  -0.3220000     -0.1590000       1.285500    
 C  -0.3270000     -0.2035000      -1.313000    
 C   -1.347300       1.571500     -3.5599999E-02
 C    3.643700       1.087100     -1.5900001E-02
 C    4.814000      0.1178000      2.9899999E-02
 C  -0.7314000      -2.260600      2.2500001E-02
 C   -2.636400       1.209400      2.8200001E-02
 C   -3.773100       2.177100      2.0300001E-02
 H    1.210900       2.036000      0.7959000    
 H    1.241500       1.938800     -0.9582000    
 H    2.261800     -0.2304000      0.9622000    
 H    2.265300     -0.3626000     -0.7962000    
 H   -1.108500       2.631200     -0.1003000    
 H    3.719200       1.782800      0.8279000    
 H    3.708900       1.682100     -0.9344000    
 H  -0.6794000      -2.020900       2.057100    
 H  -0.6847000      -2.091100      -2.019300    
 H    4.787200     -0.5706000     -0.8208000    
 H    4.798100     -0.4732000      0.9512000    
 H    5.761100      0.6652000     -6.0999999E-03
 H   -2.906900      0.1588000      8.8699996E-02
 H   -4.363000       2.065800      0.9352000    
 H   -3.434400       3.216000     -4.2700000E-02
 H   -4.425200       1.978500     -0.8358000    


%chk=000049214-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049214

0 1
O -0.341192 0.011441 2.257894
O 0.083870 -0.026090 -2.586769
O -1.207106 -3.813048 -0.224916
N -0.810481 -1.845402 0.973938
N -0.572286 -1.878746 -1.374868
C -0.282626 0.326167 -0.181044
C 1.023636 1.188794 -0.072790
C 2.327233 0.365444 0.016845
C -0.460969 -0.487970 1.109083
C -0.219700 -0.520989 -1.471310
C -1.490066 1.271078 -0.383898
C 3.576550 1.272404 0.100569
C 4.891673 0.469013 0.189391
C -0.892972 -2.597664 -0.210469
C -2.416642 1.624839 0.541264
C -3.538838 2.601842 0.275996
H 0.911232 1.824100 0.824082
H 1.056287 1.848319 -0.959361
H 2.300231 -0.291546 0.910275
H 2.422362 -0.292386 -0.871318
H -1.524747 1.698861 -1.396224
H 3.485954 1.936288 0.983994
H 3.604062 1.934420 -0.788418
H -0.991410 -2.363940 1.840052
H -0.593766 -2.416203 -2.247931
H 5.023814 -0.176159 -0.699562
H 4.898228 -0.183788 1.082571
H 5.768993 1.138127 0.253953
H -2.360872 1.212354 1.558269
H -3.472094 3.471180 0.958392
H -3.522812 2.975633 -0.762480
H -4.523648 2.130027 0.459192


