%chk=000160692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160692

0 1
 O   0.1587000     -0.9947000       2.370900    
 O    1.476000      -3.589500      -1.183500    
 N   0.8903000      -2.524400      0.7978000    
 C   3.5700001E-02 -0.4884000     -3.5100002E-02
 C   0.1906000      -1.538700      -1.175100    
 C   -1.404600      4.4500001E-02 -0.1341000    
 C    1.087900      0.6425000     -2.3499999E-02
 C   0.3264000      -1.340100       1.208600    
 C   0.9527000      -2.677700     -0.5618000    
 C   -1.790800      0.8105000      -1.233900    
 C   0.7670000       1.889100      0.5147000    
 C   -2.323700     -0.2380000      0.8764000    
 C    2.359600      0.4183000     -0.5517000    
 C   -3.096200       1.294000      -1.323500    
 C    1.716900       2.910400      0.5248000    
 C   -3.629100      0.2454000      0.7869000    
 C    3.309600       1.439700     -0.5416000    
 C   -4.015200       1.011400     -0.3130000    
 C    2.988200       2.685700     -3.4000000E-03
 H   0.7074000      -1.153500      -2.059100    
 H  -0.7725000      -1.955600      -1.498100    
 H    1.254200      -3.213100       1.447100    
 H   -1.089200       1.036100      -2.032700    
 H  -0.2019000       2.094300      0.9598000    
 H   -2.091200     -0.8483000       1.739900    
 H    2.653100     -0.5403000     -0.9664000    
 H   -3.397400       1.889200      -2.180500    
 H    1.469200       3.878800      0.9497000    
 H   -4.347300      2.0800000E-02   1.570200    
 H    4.300700       1.264100     -0.9495000    
 H   -5.032100       1.386400     -0.3835000    
 H    3.728500       3.480200      6.5000001E-03


%chk=000160692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000160692

0 1
O 0.132158 -0.941068 2.458973
O 1.589446 -3.684540 -1.049435
N 0.980633 -2.483104 0.894074
C -0.000754 -0.507066 -0.038738
C 0.204313 -1.593811 -1.143519
C -1.432805 0.053738 -0.093133
C 1.068065 0.621024 -0.085070
C 0.330350 -1.291094 1.274605
C 1.019613 -2.716210 -0.498409
C -1.783375 0.870082 -1.201804
C 0.830430 1.820863 0.634748
C -2.428896 -0.260023 0.862887
C 2.309814 0.460714 -0.750132
C -3.098591 1.353269 -1.357253
C 1.799235 2.845388 0.666304
C -3.748828 0.226339 0.707786
C 3.279926 1.488917 -0.721015
C -4.090709 1.031045 -0.400853
C 3.028177 2.686259 -0.015749
H 0.690326 -1.223745 -2.058823
H -0.769724 -2.020701 -1.444416
H 1.401913 -3.119215 1.576204
H -1.016798 1.135226 -1.940091
H -0.115312 1.946552 1.171826
H -2.179238 -0.862648 1.740881
H 2.542665 -0.460539 -1.295427
H -3.349364 1.981306 -2.219424
H 1.596830 3.765563 1.225388
H -4.506795 -0.021838 1.459170
H 4.231479 1.349561 -1.245985
H -5.113313 1.406623 -0.517502
H 3.780630 3.482234 0.007229


