%chk=000082578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082578

0 1
 O  -0.1964000      0.6467000       1.573200    
 O   -1.872400       1.748900     -0.4849000    
 O   0.6432000       2.472800     -0.4479000    
 O   -2.178900      -1.831900      0.1759000    
 O   -4.889200      -1.083600      0.2564000    
 O    3.165900      -1.970500      -1.153200    
 N    2.830200     -0.4293000      0.2462000    
 N    3.426000     -0.7942000     -0.8733000    
 C  -7.4299999E-02  0.2544000      0.2071000    
 C   -1.455300      0.3847000     -0.4788000    
 C    1.031000       1.100900     -0.4626000    
 C   -2.554000     -0.4564000      0.2070000    
 C    2.377400      0.9603000      0.2632000    
 C   -3.928500     -0.3126000     -0.4470000    
 C    3.675300     -0.6902000       1.418800    
 H   0.2179000     -0.8013000      0.1890000    
 H   -1.352400      6.4700000E-02  -1.522600    
 H    1.130000      0.8100000      -1.514700    
 H   -2.656500     -0.1688000       1.260800    
 H    2.260900       1.337300       1.288600    
 H    3.118100       1.637200     -0.1880000    
 H   -3.905400     -0.6860000      -1.475900    
 H   -4.267500      0.7276000     -0.4617000    
 H   0.5420000      0.2481000       2.063500    
 H   -1.920800       2.045600      0.4400000    
 H   0.5065000       2.732500      0.4792000    
 H   -1.482000      -1.964700      0.8402000    
 H    3.983700      -1.742500       1.462100    
 H    3.119100     -0.4996000       2.344300    
 H    4.579000     -6.7800000E-02   1.424800    
 H   -4.925800     -0.7468000       1.167900    


%chk=000082578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082578

0 1
O -0.167772 0.340020 1.763874
O -1.854534 1.802969 0.465131
O 0.645606 2.502351 -0.518291
O -1.930336 -1.703312 -0.812788
O -4.693745 -1.400684 -0.576281
O 2.922798 -1.873660 2.341751
N 2.944106 -0.056113 1.016694
N 2.356707 -0.757436 2.039771
C -0.025899 0.197462 0.302674
C -1.421431 0.572871 -0.244649
C 1.082655 1.125573 -0.276532
C -2.446437 -0.555361 -0.051892
C 2.308825 1.237336 0.673825
C -3.843957 -0.186507 -0.577421
C 4.116903 -0.604484 0.309846
H 0.196457 -0.852623 0.036584
H -1.364501 0.840588 -1.313392
H 1.398618 0.709223 -1.255237
H -2.504172 -0.816040 1.028856
H 1.977656 1.726554 1.604831
H 3.063763 1.882718 0.197287
H -3.789391 0.108605 -1.638706
H -4.290930 0.635608 0.011141
H 0.629557 -0.100866 2.199196
H -1.606350 1.634473 1.421484
H -0.266647 2.628955 -0.117194
H -2.712412 -2.295539 -0.983318
H 3.919025 -1.647049 0.004381
H 5.000275 -0.616861 0.974127
H 4.320127 0.020455 -0.571961
H -5.017764 -1.573726 0.343810


