%chk=000127002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127002

0 1
 O    1.436300      -1.612900      -2.038100    
 O    3.108100       1.015800      8.1000002E-03
 O   -3.037100      -1.913800      0.2508000    
 O  -0.8437000       2.828900     -0.8894000    
 O   -4.920800     -0.3307000       1.661200    
 O    3.642300       2.375800       1.787100    
 N    1.880600      -1.716100       1.700200    
 N  -0.1917000      -1.669600     -0.3092000    
 N   -3.487100       2.839300     -0.2955000    
 N    5.281000       1.416800      0.4901000    
 C    2.085400      -1.763700      0.2545000    
 C    1.130700      -1.147700     -0.7231000    
 C    1.348100      -2.852800      0.9693000    
 C  -9.4099998E-02  -2.843300      0.5489000    
 C   0.9285000      0.4023000     -0.7536000    
 C   -1.118600     -0.6556000     -0.2719000    
 C  -0.5669000      0.5274000     -0.5386000    
 C    1.728800       1.195700      0.2739000    
 C   -2.544000     -0.8140000      2.5900001E-02
 C   -1.360000       1.756900     -0.5896000    
 C    2.621900      -1.012000      -2.534300    
 C   -3.366400      0.4416000      2.6100000E-02
 C   -2.822400       1.643900     -0.2627000    
 C   -4.817200      0.2222000      0.3646000    
 C    3.978300       1.665700      0.8452000    
 H    3.095000      -1.956600     -6.9899999E-02
 H    1.801500      -3.816900       1.128700    
 H    1.126200      -1.078200       1.947800    
 H  -0.3353000      -3.744100     -2.3700001E-02
 H  -0.7521000      -2.781800       1.421900    
 H    1.133100      0.8212000      -1.743800    
 H    1.489000      0.9073000       1.302000    
 H    1.496800       2.263300      0.1756000    
 H    3.390600     -0.8103000      -1.786200    
 H    2.389300     -9.8899998E-02  -3.089300    
 H    3.054800      -1.707300      -3.261000    
 H   -5.266200     -0.4738000     -0.3531000    
 H   -5.409600       1.139700      0.3424000    
 H   -4.475800       2.892700     -9.2799999E-02
 H   -2.981500       3.686100     -0.5253000    
 H   -5.864700     -0.4898000       1.832300    
 H    5.508300      0.8204000     -0.2984000    
 H    6.055800       1.820500       1.005600    


%chk=000127002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127002

0 1
O 1.481151 -1.558022 -2.045914
O 3.183916 1.186217 -0.098861
O -2.990907 -2.108060 0.281471
O -0.964286 2.986388 -0.529205
O -5.437893 1.162593 1.193720
O 3.797133 2.444831 1.800627
N 1.616314 -1.852584 1.792106
N -0.175694 -1.646682 -0.371719
N -3.579835 2.697785 -0.014448
N 5.380183 1.691871 0.237480
C 2.067658 -1.768571 0.345537
C 1.163856 -1.071876 -0.686886
C 1.310262 -2.995573 0.845314
C -0.080269 -3.012906 0.185085
C 0.938792 0.489427 -0.676377
C -1.115496 -0.660209 -0.223217
C -0.561614 0.605513 -0.421429
C 1.764029 1.293026 0.336548
C -2.568727 -0.904845 0.090926
C -1.375582 1.777448 -0.369533
C 2.847662 -1.266391 -2.510706
C -3.411520 0.269941 0.145136
C -2.862179 1.545054 -0.070204
C -4.890599 0.049971 0.369483
C 4.107951 1.837406 0.749370
H 3.148191 -1.740138 0.202289
H 1.799420 -3.945257 1.071812
H 0.772375 -1.274965 1.983660
H -0.111881 -3.763964 -0.624947
H -0.921518 -3.198293 0.871688
H 1.181739 0.867524 -1.687595
H 1.676653 0.910089 1.368056
H 1.455484 2.351983 0.320170
H 3.584156 -1.964015 -2.066318
H 3.145136 -0.225378 -2.280401
H 2.818665 -1.417453 -3.601097
H -5.027995 -0.924422 0.873063
H -5.432266 0.023805 -0.601976
H -4.533952 2.656569 0.365598
H -3.058941 3.568425 -0.165331
H -6.378056 0.964543 1.424951
H 5.538626 1.202644 -0.639413
H 6.155057 2.110152 0.744187


