%chk=000176411.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176411

0 1
 O  -0.5753000      0.8928000     -0.2029000    
 O   -2.489000      0.3259000      0.7298000    
 O   -2.039600     -0.4490000      -1.312000    
 N   -1.803500      0.1903000     -0.2843000    
 C   0.4854000      0.1067000      0.3595000    
 C   0.6692000      -1.130500     -0.5445000    
 C    1.730500       1.012800      0.4496000    
 C   4.5400001E-02 -0.2952000       1.773300    
 C    1.707300      -2.137200     -7.1500003E-02
 C    2.269600       1.483400     -0.8969000    
 H  -0.2515000      -1.718100     -0.6082000    
 H   0.8886000     -0.8245000      -1.574300    
 H    2.536200      0.5028000      0.9908000    
 H    1.475500       1.909100       1.030300    
 H  -0.3574000      0.5614000       2.326300    
 H   0.8920000     -0.6864000       2.349400    
 H  -0.7151000      -1.083600       1.774500    
 H    1.452200      -2.551000      0.9084000    
 H    1.767300      -2.972600     -0.7772000    
 H    2.701300      -1.685100     -9.6000005E-03
 H    1.494700       1.983200      -1.485900    
 H    3.085800       2.196800     -0.7422000    
 H    2.669900      0.6504000      -1.482000    


%chk=000176411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176411

0 1
O -0.555726 0.916332 -0.270810
O -2.268664 -0.737864 -0.013063
O -2.686624 1.262273 -1.041340
N -1.959646 0.417211 -0.450184
C 0.479015 0.004750 0.420224
C 0.689989 -1.268704 -0.436250
C 1.695859 0.975013 0.408812
C 0.033729 -0.279351 1.867467
C 1.889178 -2.131181 0.021924
C 2.249413 1.348693 -0.981843
H -0.228410 -1.879469 -0.402740
H 0.837372 -0.961014 -1.488180
H 2.488883 0.500982 1.019440
H 1.393826 1.893569 0.946768
H -0.212517 0.664312 2.385471
H 0.861105 -0.761102 2.418315
H -0.841275 -0.946393 1.904824
H 1.765150 -2.486712 1.060600
H 1.975794 -3.022966 -0.624071
H 2.844597 -1.580208 -0.041321
H 1.464042 1.801304 -1.610524
H 3.068921 2.082487 -0.877825
H 2.655486 0.470438 -1.515294


