%chk=000157744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157744

0 1
 O  -0.9745000       1.218600      0.1725000    
 O   -3.201700     -0.1185000      -2.094200    
 O    3.294600       1.287400     -8.1900001E-02
 N   0.4109000       1.146100      9.3500003E-02
 N    1.977300     -0.6569000      6.9300003E-02
 N    4.281200     -0.8016000     -6.1900001E-02
 C   -2.946700     -0.1459000      0.3405000    
 C   -1.402700     -3.0500000E-02  0.2450000    
 C   -3.612400      0.5211000     -0.8906000    
 C   -3.442100      -1.608600      0.4249000    
 C   -3.436100      0.5692000       1.621300    
 C  -0.4662000     -0.9516000      0.2245000    
 C   0.6910000     -0.1598000      0.1263000    
 C    3.183400      6.4800002E-02 -2.8999999E-02
 C    5.644000     -0.3338000     -0.1602000    
 H   -4.704000      0.4489000     -0.8318000    
 H   -3.357500       1.584500     -0.9664000    
 H   -4.535800      -1.657700      0.4778000    
 H   -3.123600      -2.192600     -0.4460000    
 H   -3.043500      -2.109700       1.315000    
 H   -4.524300      0.4953000       1.727700    
 H   -3.177700       1.634400       1.608700    
 H   -2.978800      0.1322000       2.516800    
 H  -0.5466000      -2.027200      0.2698000    
 H   -2.259200      7.7200003E-02  -2.228800    
 H    2.050700      -1.670400      0.1027000    
 H    4.119300      -1.799700      2.9700000E-02
 H    5.695400      0.5542000     -0.7954000    
 H    6.256900      -1.133400     -0.5824000    
 H    5.997400     -8.6599998E-02  0.8439000    


%chk=000157744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157744

0 1
O -1.031171 0.980948 -0.638846
O -3.370922 0.268481 -2.151950
O 3.302069 1.056365 -0.725157
N 0.458825 0.925991 -0.700324
N 2.032693 -0.675852 0.257938
N 4.370586 -0.819880 0.186929
C -3.018226 -0.181160 0.310259
C -1.516254 -0.100891 0.109764
C -3.741436 0.658748 -0.792229
C -3.475558 -1.659978 0.220884
C -3.384080 0.422161 1.699202
C -0.442602 -0.854592 0.540363
C 0.738530 -0.193326 0.028395
C 3.248050 -0.057653 -0.143047
C 5.721241 -0.340714 -0.123954
H -4.825759 0.466261 -0.719556
H -3.554798 1.738457 -0.620964
H -4.550418 -1.733410 0.469066
H -3.328658 -2.041901 -0.803893
H -2.921369 -2.303614 0.927917
H -4.483176 0.446763 1.821701
H -2.999538 1.452928 1.801668
H -2.960780 -0.186493 2.517823
H -0.472699 -1.760897 1.141010
H -2.467775 0.634909 -2.337032
H 2.081724 -1.545527 0.790412
H 4.270049 -1.742795 0.610082
H 5.618730 0.651613 -0.591498
H 6.236601 -1.013752 -0.834353
H 6.334821 -0.241787 0.790692


