%chk=000162979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162979

0 1
 O   0.9024000       2.551400     -0.1150000    
 O   6.4300001E-02  -1.983800     -0.1579000    
 O   -1.368400      4.6999998E-02   2.153200    
 O   -5.334100     -0.5098000     -0.1198000    
 N   5.5100001E-02  0.3637000     -0.1457000    
 N   -3.323900     -0.2478000      0.9771000    
 C   -1.356100      0.6398000     -0.1906000    
 C    2.305400      0.6253000     -7.7299997E-02
 C    2.061300     -0.6877000     -8.4399998E-02
 C    3.657000       1.235600     -1.8600000E-02
 C    3.104600      -1.743200     -6.9100000E-02
 C    4.719900      0.1878000      0.3529000    
 C    4.493100      -1.151100     -0.3648000    
 C   -1.999700      2.1000000E-02  -1.421100    
 C    1.022000       1.338200     -0.1136000    
 C   0.6073000     -0.8928000     -0.1338000    
 C   -3.490000      0.3093000      -1.409200    
 C   -1.978100      0.1011000       1.085200    
 C   -4.142100     -0.2040000     -0.1475000    
 H   -1.513800       1.725600     -0.1927000    
 H    3.895300       1.667300     -0.9979000    
 H    3.681900       2.050100      0.7137000    
 H    3.113100      -2.220600      0.9178000    
 H    2.879200      -2.520500     -0.8075000    
 H    5.716100      0.5762000      0.1128000    
 H    4.698700      1.8200001E-02   1.437300    
 H    5.267100      -1.868700     -6.9899999E-02
 H    4.599100     -0.9973000      -1.446700    
 H   -1.854600      -1.065100      -1.452300    
 H   -1.548500      0.4291000      -2.333400    
 H   -3.965500     -0.1756000      -2.268700    
 H   -3.680200       1.386300      -1.476800    
 H   -3.763200     -0.5821000       1.830700    


%chk=000162979-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162979

0 1
O 0.811794 2.559404 -0.210418
O 0.051434 -2.073116 -0.267211
O -1.317922 -0.100867 2.111912
O -5.470345 -0.383895 0.072555
N 0.059029 0.307221 -0.300649
N -3.361152 -0.221178 1.018447
C -1.374534 0.571359 -0.269792
C 2.373758 0.616863 -0.117323
C 2.147732 -0.732586 -0.125379
C 3.725848 1.260804 -0.008151
C 3.218214 -1.781504 -0.045659
C 4.774496 0.208246 0.444620
C 4.607591 -1.139483 -0.307697
C -2.130747 0.020789 -1.501566
C 1.053620 1.326712 -0.208459
C 0.667638 -0.978785 -0.229197
C -3.632188 0.353956 -1.390400
C -1.978625 0.048687 1.055550
C -4.251878 -0.114753 -0.078684
H -1.466941 1.678877 -0.248168
H 4.010230 1.694182 -0.989177
H 3.685713 2.114752 0.694282
H 3.191489 -2.253477 0.957975
H 3.011217 -2.598460 -0.762813
H 5.793252 0.606177 0.284478
H 4.663406 0.030843 1.532538
H 5.404569 -1.842261 -0.003184
H 4.729154 -0.964431 -1.395199
H -1.978776 -1.070947 -1.566085
H -1.709064 0.474973 -2.415013
H -4.213904 -0.103143 -2.207679
H -3.792808 1.449190 -1.461045
H -3.776598 -0.541248 1.902989


