%chk=000040339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040339

0 1
 O   0.5801000       2.649000     -0.6661000    
 O   0.4478000       1.034600      -2.313300    
 N   -3.682100      0.2695000      0.9140000    
 C   0.5311000      0.3963000      2.7400000E-02
 C  -4.0600002E-02   1.147100       1.259300    
 C   -2.259300     -1.1200000E-02   1.139700    
 C   -1.546700       1.344400       1.149400    
 C  -0.3470000     -0.8024000     -0.3729000    
 C   -1.650600     -0.9859000      0.1436000    
 C    1.974100     -1.5799999E-02  0.3943000    
 C   0.5129000       1.371900      -1.138900    
 C   0.1505000      -1.735700      -1.310100    
 C   -2.367700      -2.142000     -0.2261000    
 C    2.188900     -0.8985000       1.445100    
 C    3.040100      0.5012000     -0.3305000    
 C   -3.878400      0.8497000     -0.4117000    
 C   -4.190900       1.164700       1.949700    
 C  -0.5912000      -2.852900      -1.686600    
 C   -1.846500      -3.062000      -1.135200    
 C    3.491800      -1.270200       1.776700    
 C    4.343000      0.1294000      8.9999998E-04
 C    4.568800     -0.7563000       1.054600    
 C   0.5719000       3.675100      -1.663600    
 H   0.4635000       2.098500       1.472300    
 H   0.1221000      0.5634000       2.176600    
 H   -2.139100     -0.4842000       2.124900    
 H   -1.830900       1.941400       2.023500    
 H   -1.734500       1.961100      0.2676000    
 H    1.136600      -1.605500      -1.750600    
 H   -3.352900      -2.334600      0.1931000    
 H    1.365500      -1.322900       2.012100    
 H    2.921700       1.191200      -1.158400    
 H   -4.953100      0.8313000     -0.6344000    
 H   -3.578800       1.898600     -0.5052000    
 H   -3.413700      0.2819000      -1.223300    
 H   -3.918500      0.8193000       2.953700    
 H   -3.894600       2.213300       1.836300    
 H   -5.287300       1.152300       1.916800    
 H  -0.1833000      -3.561700      -2.401000    
 H   -2.424600      -3.938600      -1.412300    
 H    3.667600      -1.962600       2.594800    
 H    5.182300      0.5287000     -0.5612000    
 H    5.583200      -1.046600       1.312000    
 H  -0.3586000       3.636400      -2.237800    
 H    1.438700       3.569100      -2.322700    
 H   0.6320000       4.641900      -1.156900    


%chk=000040339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040339

0 1
O 0.630957 2.697263 -0.963516
O 0.792630 0.928285 -2.446585
N -3.721390 0.304849 0.972394
C 0.596603 0.431557 -0.002365
C 0.054025 1.207836 1.238281
C -2.248916 0.165084 1.159469
C -1.452333 1.495616 1.126891
C -0.336710 -0.754208 -0.349554
C -1.654627 -0.863359 0.180261
C 2.042682 -0.021493 0.346181
C 0.672805 1.330918 -1.269585
C 0.129771 -1.750436 -1.247727
C -2.448179 -1.985427 -0.176387
C 2.256246 -1.220799 1.073250
C 3.159943 0.804090 0.063349
C -4.141738 0.910521 -0.305565
C -4.419415 0.881887 2.133849
C -0.670403 -2.852373 -1.602170
C -1.969851 -2.975486 -1.055501
C 3.552208 -1.590758 1.492811
C 4.459071 0.432705 0.476612
C 4.662188 -0.767087 1.193993
C 0.721691 3.609954 -2.130581
H 0.630518 2.138812 1.363716
H 0.244144 0.579761 2.131357
H -2.128582 -0.257829 2.182089
H -1.772486 2.143710 1.964500
H -1.655615 2.047732 0.190542
H 1.132293 -1.649219 -1.674167
H -3.459162 -2.038361 0.242181
H 1.406021 -1.873255 1.299289
H 3.021663 1.747031 -0.477829
H -5.228623 0.757534 -0.440241
H -3.944804 2.008620 -0.374450
H -3.621724 0.413415 -1.142283
H -4.128931 0.338774 3.051802
H -4.217847 1.969980 2.298745
H -5.510921 0.765480 1.999604
H -0.286191 -3.605876 -2.298566
H -2.603131 -3.830912 -1.317422
H 3.695415 -2.523241 2.050578
H 5.310230 1.081171 0.239674
H 5.668985 -1.056997 1.514818
H -0.119122 3.428620 -2.820726
H 1.669331 3.447618 -2.671357
H 0.674583 4.619993 -1.700058


