%chk=000045103.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045103

0 1
 O   -1.322200       3.823600     -0.5363000    
 O   -3.689900       3.392800      0.8459000    
 O    4.844200       1.105500     -0.4904000    
 O    5.098100     -0.7198000       1.590500    
 O   -2.277200      -4.619300     -0.8885000    
 O   -3.358700      -4.216100       1.069700    
 N   -1.143300      -2.240500     -0.7720000    
 C   -1.459900      0.1591000     -0.5342000    
 C  -0.7527000     -0.9618000     -0.9738000    
 C   0.5331000     -0.8222000      -1.725300    
 C   -2.662500     -6.4099997E-02  0.1676000    
 C    1.758700     -0.7914000     -0.8375000    
 C   -1.019400       1.472800     -0.7650000    
 C   -3.401500       1.039000      0.6254000    
 C   -3.084300      -1.380700      0.3871000    
 C   -1.765700       2.556700     -0.3031000    
 C   -2.954200       2.340200      0.3904000    
 C   -2.299000      -2.415900     -9.6600004E-02
 C    2.742900      0.1513000      -1.077400    
 C    1.868000      -1.707600      0.1940000    
 C    3.872500      0.1788000     -0.2598000    
 C    2.997600      -1.680100       1.011600    
 C    3.999900     -0.7368000      0.7848000    
 C   -2.702400      -3.796400      0.1099000    
 C  -9.6799999E-02   3.959400      -1.253300    
 C   -3.396200       3.869200       2.157700    
 C    4.636900       2.004800      -1.577800    
 C    5.034000      9.9299997E-02   2.756400    
 H   0.5073000      1.4500000E-02  -2.432000    
 H   0.6461000      -1.700600      -2.378400    
 H  -8.7499999E-02   1.621300      -1.292000    
 H   -4.332500      0.8860000       1.168200    
 H   -4.007800      -1.584200      0.9224000    
 H    2.587800      0.8358000      -1.903500    
 H    1.119200      -2.467800      0.3854000    
 H    3.093100      -2.399800       1.820300    
 H   0.7465000       3.532900     -0.6990000    
 H   0.1007000       5.032200      -1.349900    
 H  -0.1758000       3.560900      -2.270700    
 H   -4.058300       4.712400       2.372300    
 H   -2.359200       4.214000       2.219600    
 H   -3.576400       3.084800       2.899500    
 H    3.758200       2.638500      -1.415900    
 H    4.600400       1.477200      -2.537000    
 H    5.505500       2.670700      -1.614900    
 H    4.230800     -0.2389000       3.418700    
 H    4.879500       1.147900       2.483000    
 H    5.985400      1.3300000E-02   3.288400    
 H   -2.555300      -5.548100     -0.7389000    


%chk=000045103-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045103

0 1
O -1.080297 3.557435 0.215036
O -3.703627 3.129162 1.198633
O 4.850342 1.174279 -0.563078
O 4.883392 -0.133993 1.972224
O -2.548944 -4.976723 -1.229943
O -4.502219 -4.246479 -0.217438
N -1.436464 -2.486478 -1.123428
C -1.520623 -0.117672 -0.491221
C -0.860493 -1.268209 -1.075774
C 0.527039 -1.169243 -1.698251
C -2.856395 -0.293543 0.035221
C 1.659195 -0.848695 -0.719666
C -0.917002 1.174504 -0.421994
C -3.529811 0.824543 0.618256
C -3.443708 -1.591768 -0.035832
C -1.596220 2.258951 0.145292
C -2.930064 2.081395 0.689661
C -2.711303 -2.641469 -0.604834
C 2.687131 0.054579 -1.092121
C 1.731295 -1.475564 0.545656
C 3.773152 0.330412 -0.227183
C 2.796980 -1.184527 1.422950
C 3.821297 -0.283052 1.062934
C -3.348600 -3.991272 -0.652852
C 0.249310 3.791193 -0.362770
C -3.123544 4.004896 2.242012
C 4.909376 1.684885 -1.934078
C 5.304376 1.235404 2.329186
H 0.519042 -0.413306 -2.508857
H 0.712139 -2.149914 -2.173412
H 0.097183 1.301816 -0.806231
H -4.539921 0.713049 1.024708
H -4.450619 -1.785071 0.346280
H 2.648531 0.519566 -2.083965
H 0.956020 -2.188706 0.844481
H 2.868690 -1.658643 2.406954
H 1.019836 3.183641 0.148784
H 0.445513 4.861194 -0.203018
H 0.251669 3.565557 -1.446175
H -3.936316 4.698651 2.503494
H -2.249117 4.552770 1.858375
H -2.841418 3.405348 3.128425
H 4.060570 2.362807 -2.153761
H 4.921815 0.857168 -2.668827
H 5.853377 2.246742 -1.990958
H 4.456931 1.798053 2.768315
H 5.698692 1.771793 1.450936
H 6.091458 1.099164 3.086565
H -3.059945 -5.831831 -1.213112


