%chk=000068819.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068819

0 1
 O    4.545100      0.2371000      -1.326100    
 O  -0.4211000      -1.990200     -0.8028000    
 N    1.909300     -0.3645000     -0.3500000    
 C    2.937200      0.2070000      0.5297000    
 C   0.5839000      3.3599999E-02  9.0800002E-02
 C    4.313300     -0.2315000     -2.9000000E-03
 C    2.696200     -0.3197000       1.951200    
 C    2.810900       1.737500      0.5223000    
 C  -0.4961000     -0.5652000     -0.8186000    
 C   -1.883700     -0.1598000     -0.3722000    
 C   -2.560200     -0.9542000      0.5375000    
 C   -2.447000      0.9971000     -0.8827000    
 C   -3.839400     -0.5803000      0.9493000    
 C   -3.726200       1.371000     -0.4708000    
 C   -4.422300      0.5822000      0.4452000    
 H    1.985400      -1.381000     -0.3485000    
 H   0.3710000     -0.3221000       1.103900    
 H   0.4471000       1.119000      6.8400003E-02
 H    4.411500      -1.323500     -7.1999999E-03
 H    5.115700      0.1632000      0.6300000    
 H    1.846100      0.1470000       2.459600    
 H    3.570400     -0.1053000       2.579000    
 H    2.560000      -1.407700       1.966600    
 H    1.961200       2.110100       1.104300    
 H    3.702900       2.189300      0.9741000    
 H    2.734200       2.137000     -0.4959000    
 H  -0.3460000     -0.2497000      -1.859200    
 H   -2.122900      -1.855400      0.9567000    
 H   -1.911400       1.618300      -1.594600    
 H    3.815200     -8.8900000E-02  -1.879700    
 H   0.3979000      -2.246100      -1.259400    
 H   -4.380200      -1.192300       1.665300    
 H   -4.179900       2.276600     -0.8626000    
 H   -5.417900      0.8739000      0.7666000    


%chk=000068819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068819

0 1
O 4.079257 0.532094 -1.565243
O -0.206972 -2.020660 -0.539407
N 1.924959 -0.265503 -0.166971
C 3.078110 0.209991 0.676420
C 0.550632 0.116127 0.219557
C 4.324324 -0.020839 -0.237587
C 3.225951 -0.598322 1.990107
C 2.932558 1.718664 0.976372
C -0.447007 -0.569867 -0.732237
C -1.891200 -0.184724 -0.441168
C -2.574909 -0.744145 0.669162
C -2.561704 0.753770 -1.263752
C -3.904923 -0.364322 0.953125
C -3.891504 1.138194 -0.977924
C -4.566413 0.579878 0.132221
H 1.958242 -1.292995 -0.274867
H 0.284031 -0.174049 1.262874
H 0.421576 1.208702 0.131695
H 4.537288 -1.113865 -0.295433
H 5.212417 0.489275 0.175019
H 2.349774 -0.452645 2.648569
H 4.125339 -0.281044 2.551159
H 3.320619 -1.680772 1.779512
H 2.044380 1.933762 1.596895
H 3.819980 2.071325 1.531736
H 2.867617 2.294062 0.036174
H -0.181106 -0.286114 -1.773102
H -2.061091 -1.483459 1.293800
H -2.042755 1.183636 -2.130138
H 3.093928 0.361215 -1.692177
H -0.834545 -2.530746 -1.110240
H -4.426853 -0.802194 1.811602
H -4.401022 1.864366 -1.621109
H -5.598779 0.873702 0.352656


