%chk=000047272.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047272

1 1
 O   -2.483000     -0.1817000      0.5479000    
 O   -2.173200      -2.059200     -0.7686000    
 N   -1.175200       2.157500     -0.3666000    
 N   -4.339300      -1.329500     -0.3383000    
 C  -0.4528000       1.054800      0.2321000    
 C  -0.2197000       3.312100     -0.7798000    
 C   -2.237400       2.743200      0.6061000    
 C   -1.966400       1.801600      -1.663700    
 C    1.625600      8.1699997E-02  0.9395000    
 C   0.9331000       1.137700      0.3670000    
 C    3.124000      0.1708000       1.085200    
 C   -1.129400     -8.3099999E-02  0.6715000    
 C    3.896900     -0.3755000     -0.1205000    
 C    5.415700     -0.3463000      7.7900000E-02
 C   0.9656000      -1.055100       1.380500    
 C  -0.4202000      -1.137900       1.245800    
 C    6.143700     -0.9234000      -1.136800    
 C    7.650000     -0.9328000     -0.9304000    
 C   -2.945300      -1.262800     -0.2357000    
 C   -4.966100      -2.390200      -1.114000    
 C   -5.246600     -0.3819000      0.3008000    
 H   0.2760000       3.704500      0.1142000    
 H   0.4713000       2.951800      -1.548800    
 H  -0.8299000       4.115400      -1.208100    
 H   -2.616800       3.673100      0.1704000    
 H   -3.066300       2.048000      0.7359000    
 H   -1.741000       2.953300       1.558500    
 H   -1.276900       1.292300      -2.343300    
 H   -2.818400       1.168300      -1.418800    
 H   -2.330400       2.731700      -2.111800    
 H    1.528700       1.983700      4.6399999E-02
 H    3.427200     -0.3713000       1.990800    
 H    3.412700       1.214800       1.264800    
 H    3.580100      -1.408100     -0.3167000    
 H    3.634500      0.2045000      -1.014500    
 H    5.677500     -0.9237000      0.9728000    
 H    5.743400      0.6859000      0.2506000    
 H    1.508900      -1.880900       1.830900    
 H  -0.9326000      -2.024000       1.611300    
 H    5.905000     -0.3328000      -2.029000    
 H    5.801800      -1.947900      -1.324500    
 H    7.923700      -1.544100     -6.4499997E-02
 H    8.150600      -1.347700      -1.810800    
 H    8.030100      8.1100002E-02 -0.7695000    
 H   -5.574600      -1.937300      -1.902100    
 H   -4.223800      -3.048800      -1.571700    
 H   -5.604800      -2.980900     -0.4510000    
 H   -5.783600      0.1648000     -0.4796000    
 H   -5.960900     -0.9380000      0.9150000    
 H   -4.720200      0.3309000      0.9370000    


%chk=000047272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047272

1 1
O -2.622030 0.021171 0.273438
O -2.540291 -1.299329 -1.690156
N -1.202931 2.444465 -0.570580
N -4.358988 -1.473533 -0.196627
C -0.482881 1.257987 0.067387
C -0.281978 3.644244 -0.794021
C -2.349110 2.924712 0.337441
C -1.746582 2.027543 -1.950346
C 1.605875 0.206304 0.857859
C 0.907473 1.310593 0.310179
C 3.108466 0.257690 1.066171
C -1.207019 0.081060 0.396585
C 3.890779 -0.471636 -0.065867
C 5.418108 -0.449003 0.163391
C 0.867897 -0.965677 1.162904
C -0.518242 -1.022463 0.940958
C 6.204963 -1.177869 -0.950314
C 7.730617 -1.152858 -0.715791
C -3.157223 -1.010350 -0.638489
C -5.114961 -2.406756 -1.063257
C -4.984791 -1.118917 1.093135
H 0.120794 3.988209 0.169417
H 0.532256 3.368967 -1.478833
H -0.884874 4.444476 -1.249279
H -2.838041 3.784724 -0.146311
H -3.057147 2.098965 0.476083
H -1.918540 3.222673 1.305160
H -0.890030 1.792633 -2.599247
H -2.370672 1.132638 -1.847657
H -2.326959 2.868012 -2.362378
H 1.488796 2.206335 0.079713
H 3.369821 -0.215874 2.032247
H 3.456351 1.307027 1.121804
H 3.541625 -1.521786 -0.133557
H 3.651914 -0.000465 -1.041005
H 5.651392 -0.917649 1.142005
H 5.768613 0.602087 0.230470
H 1.382556 -1.833490 1.588795
H -1.088970 -1.922490 1.191764
H 5.972476 -0.711126 -1.929177
H 5.857459 -2.228814 -1.015632
H 7.994728 -1.643367 0.239641
H 8.269627 -1.679055 -1.523765
H 8.111418 -0.115090 -0.677146
H -6.110551 -1.986062 -1.292182
H -4.561100 -2.567447 -1.999188
H -5.246149 -3.375926 -0.549633
H -5.892516 -0.509366 0.927218
H -5.279189 -2.042837 1.622334
H -4.280938 -0.554682 1.718134


