%chk=000050848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050848

0 1
 O   -1.847700     -0.6773000      0.8579000    
 O    3.490200      0.3386000     -8.1400000E-02
 O    1.673600       2.426900      2.5000000E-02
 O    2.612100      -2.262500      0.2866000    
 N   -5.068300      0.3498000     -0.6065000    
 N   -6.250300     -0.4102000     -0.8610000    
 C  -0.5301000     -0.4265000      0.6260000    
 C    2.170300      8.7399997E-02  0.1507000    
 C    1.258500       1.141600      0.2034000    
 C    1.732000      -1.223700      0.3355000    
 C   -2.791400      0.2255000      0.2835000    
 C  -9.1799997E-02  0.8847000      0.4412000    
 C   0.3817000      -1.480800      0.5732000    
 C   -4.067600     -0.5377000     -3.2800000E-02
 C    3.819700      0.9850000      -1.308700    
 C   0.6774000       3.445100      9.4300002E-02
 C    2.831800      -2.866300     -0.9868000    
 H   -2.994600       1.028400       1.002300    
 H   -2.419300      0.6592000     -0.6546000    
 H  -0.8155000       1.684900      0.5287000    
 H   3.8699999E-02  -2.502200      0.7179000    
 H   -3.829000      -1.355300     -0.7261000    
 H   -4.436500      -1.009300      0.8880000    
 H   -5.285400       1.099900      4.8900001E-02
 H    3.916100       2.062800      -1.150700    
 H    3.085600      0.7787000      -2.095500    
 H    4.790000      0.6037000      -1.640000    
 H   0.2290000       3.504700       1.091900    
 H  -7.1500003E-02   3.334600     -0.6975000    
 H    1.183000       4.400500     -8.1500001E-02
 H    3.233300      -2.136800      -1.696900    
 H    1.901300      -3.294100      -1.373500    
 H    3.561500      -3.671100     -0.8628000    
 H   -6.676800     -0.6818000      2.4499999E-02
 H   -6.931500      0.1888000      -1.325800    


%chk=000050848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050848

0 1
O -2.082745 -0.951517 0.001594
O 3.456985 0.181959 -0.013282
O 1.675713 2.289439 -0.189478
O 2.366252 -2.562150 0.019157
N -5.489636 0.501894 0.212999
N -6.803445 0.090185 -0.138638
C -0.724458 -0.588725 -0.045328
C 2.070041 -0.068253 -0.124855
C 1.120395 0.995503 -0.153692
C 1.579470 -1.406376 -0.062343
C -3.081052 0.126299 -0.009231
C -0.271989 0.752884 -0.124364
C 0.188519 -1.656994 -0.015236
C -4.458339 -0.547402 0.044385
C 4.089528 0.874879 -1.154928
C 0.757922 3.425288 -0.096638
C 3.738997 -2.582226 -0.512054
H -2.928960 0.787435 0.872428
H -2.992321 0.736049 -0.929855
H -0.979074 1.583325 -0.156011
H -0.167080 -2.688156 0.035885
H -4.669885 -1.062228 -0.905818
H -4.455324 -1.315955 0.851623
H -5.426389 0.965818 1.134308
H 3.647812 1.875612 -1.293170
H 3.979770 0.279364 -2.083973
H 5.154502 0.960839 -0.887778
H 0.164825 3.385631 0.837489
H 0.076209 3.469154 -0.968742
H 1.404226 4.315546 -0.088071
H 4.421294 -1.995068 0.121497
H 3.770167 -2.194054 -1.548738
H 4.016387 -3.648355 -0.508076
H -7.355757 -0.416751 0.563191
H -7.314062 0.782310 -0.686857


