%chk=000159001.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159001

0 1
 O   0.8912000      -2.673700     -0.8767000    
 O   -2.457700      -2.877600      0.4191000    
 O   -2.194200      -1.893000      -1.607100    
 N   0.6905000      0.5286000      0.7501000    
 C   0.1100000     -0.5769000     -8.9999998E-04
 C   -1.394300     -0.7265000      0.3862000    
 C   -2.200500      0.5493000      0.1866000    
 C   0.8835000      -1.878100      0.1945000    
 C   -2.057700      -1.862500     -0.3907000    
 C    1.815500       1.212000      0.3409000    
 C    1.552300      -2.358500       1.248000    
 C   -1.883900       1.379400     -0.8690000    
 C   -3.222700      0.8368000       1.067400    
 C    2.049500      -3.608200      0.8075000    
 C   -2.622300       2.548500      -1.051900    
 C   -3.961200       2.005900      0.8845000    
 C    1.620300      -3.753700     -0.4911000    
 C    2.338600       2.278100       1.103300    
 C    2.483800      0.8690000     -0.8538000    
 C   -3.661100       2.861800     -0.1753000    
 C    3.477700       2.969200      0.6902000    
 C    3.622900       1.560100      -1.266800    
 C    4.119800       2.610200     -0.4949000    
 H   0.1463000     -0.3700000      -1.077200    
 H   -1.432000     -0.9859000       1.455200    
 H   0.3029000      0.7527000       1.660100    
 H    1.686100      -1.904400       2.218900    
 H   -1.106700       1.163300      -1.591800    
 H   -3.464600      0.1752000       1.893700    
 H    2.645800      -4.314800       1.366700    
 H   -2.393400       3.212100      -1.880800    
 H   -4.770500       2.249400       1.566600    
 H    1.742100      -4.525700      -1.236900    
 H    1.850900       2.572300       2.030300    
 H    2.151400      5.9200000E-02  -1.495500    
 H   -4.237200       3.771200     -0.3187000    
 H   -2.866300      -3.610600     -8.8799998E-02
 H    3.864800       3.786800       1.291200    
 H    4.124400       1.280300      -2.188800    
 H    5.006900       3.148000     -0.8163000    


%chk=000159001-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159001

0 1
O 0.675888 -3.037029 -0.622536
O -2.774885 -2.790897 -0.304678
O -1.885822 -1.692390 -2.146076
N 0.628568 0.489513 0.609619
C 0.122705 -0.648982 -0.157036
C -1.416296 -0.845050 0.136264
C -2.197132 0.475833 0.127418
C 0.889952 -1.904992 0.198549
C -2.009763 -1.790359 -0.906397
C 1.801513 1.189076 0.278061
C 1.784538 -2.227579 1.204193
C -2.311026 1.255891 -1.052901
C -2.800043 0.939429 1.323895
C 2.155467 -3.617343 1.018091
C -3.008777 2.481773 -1.028278
C -3.500375 2.167968 1.346658
C 1.466834 -4.075431 -0.090096
C 2.091721 2.411182 0.953827
C 2.718104 0.718576 -0.706341
C -3.604104 2.943511 0.170094
C 3.258161 3.138785 0.649790
C 3.881592 1.461171 -1.002125
C 4.166006 2.672691 -0.332339
H 0.222424 -0.463785 -1.250221
H -1.524942 -1.322737 1.124763
H -0.056156 0.990065 1.178148
H 2.145246 -1.542634 1.967512
H -1.864623 0.895740 -1.986526
H -2.732947 0.332130 2.235104
H 2.847913 -4.194645 1.627640
H -3.090188 3.077949 -1.943799
H -3.964791 2.513678 2.276794
H 1.413545 -5.023610 -0.617370
H 1.393696 2.785947 1.713748
H 2.536084 -0.225383 -1.228528
H -4.145957 3.895609 0.184103
H -3.165784 -3.373798 -1.011670
H 3.458497 4.076719 1.180862
H 4.573775 1.082218 -1.763193
H 5.072280 3.240489 -0.567021


