%chk=000040640.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040640

0 1
 O  -0.1158000      0.7871000      0.8539000    
 O  -0.8487000      -2.192100     -0.4873000    
 O  -0.1725000      -2.494400       1.692300    
 N   -3.349500       2.134200     -0.2924000    
 C    2.021400       2.528200      0.1742000    
 C    2.103800       1.045800      1.3800000E-02
 C    1.033000      0.2262000      0.3602000    
 C    1.124300      -1.154400      0.2064000    
 C    2.295400      -1.719700     -0.2981000    
 C    3.274800      0.4804000     -0.4909000    
 C    2.149400       3.271800      -1.167900    
 C    3.060200       3.069000       1.174000    
 C    3.370600     -0.9023000     -0.6467000    
 C   -1.110300       1.150700     -9.4499998E-02
 C   -2.304900       1.728800      0.6474000    
 C  -3.5000001E-03  -2.005600      0.5702000    
 C    2.428000      -3.197300     -0.4769000    
 C   -1.999000      -3.011900     -0.2541000    
 C   -2.830500       3.120800      -1.239000    
 C   -4.503000       2.673400      0.4269000    
 C   -2.824800      -2.407400      0.8712000    
 C   -2.798400      -3.131400      -1.542700    
 H    1.048700       2.816600      0.5882000    
 H    4.125500       1.096000     -0.7693000    
 H    1.404900       2.912200      -1.886700    
 H    1.988600       4.346300      -1.027600    
 H    3.139700       3.140900      -1.617200    
 H    4.086200       2.925300      0.8188000    
 H    2.913100       4.142200       1.337700    
 H    2.966500       2.565700       2.142700    
 H    4.290300      -1.326000      -1.041400    
 H  -0.6629000       1.879200     -0.7760000    
 H   -1.416900      0.2799000     -0.6832000    
 H   -1.975100       2.569400       1.273300    
 H   -2.689200      0.9710000       1.341300    
 H    3.413900      -3.474100     -0.8663000    
 H    1.682100      -3.566200      -1.188700    
 H    2.301700      -3.713000      0.4807000    
 H   -1.662000      -4.016700      2.9600000E-02
 H   -2.165300       2.666300      -1.979600    
 H   -2.312400       3.949300     -0.7424000    
 H   -3.649900       3.550600      -1.828700    
 H   -5.310500       2.923200     -0.2704000    
 H   -4.250300       3.573300      0.9995000    
 H   -4.908700       1.926800       1.118800    
 H   -2.936600      -1.326700      0.7447000    
 H   -2.408400      -2.582400       1.865300    
 H   -3.827100      -2.850400      0.8892000    
 H   -3.134800      -2.146400      -1.884800    
 H   -2.173400      -3.544700      -2.341500    
 H   -3.672700      -3.776500      -1.413600    


%chk=000040640-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040640

0 1
O -0.064610 0.709301 0.746426
O -1.003393 -1.859754 -0.415667
O 0.090233 -3.043121 1.270814
N -3.438987 1.895859 -0.221751
C 2.150922 2.548997 0.189115
C 2.244949 1.036714 -0.027033
C 1.143789 0.174310 0.224421
C 1.256160 -1.236530 0.092541
C 2.493352 -1.828365 -0.294276
C 3.455891 0.433928 -0.444947
C 2.375186 3.330818 -1.132934
C 3.146906 3.018461 1.283479
C 3.578125 -0.964311 -0.577711
C -1.024196 1.237607 -0.259494
C -2.173606 1.855220 0.549480
C 0.087557 -2.125498 0.414457
C 2.657275 -3.333241 -0.415321
C -2.262184 -2.667465 -0.186984
C -3.355418 2.758548 -1.420079
C -4.585449 2.263106 0.636439
C -3.087933 -1.992018 0.917413
C -2.964729 -2.707024 -1.545967
H 1.133263 2.771274 0.559090
H 4.325334 1.069341 -0.652399
H 1.654787 3.022064 -1.912848
H 2.259675 4.417955 -0.965272
H 3.392749 3.157993 -1.530823
H 4.194493 2.835959 0.979114
H 3.033237 4.102960 1.468781
H 2.971199 2.483775 2.233771
H 4.532884 -1.398939 -0.894900
H -0.508305 1.976075 -0.905876
H -1.394405 0.397029 -0.872335
H -1.875722 2.867143 0.927260
H -2.327637 1.209127 1.432733
H 3.660563 -3.586542 -0.797143
H 1.909708 -3.772455 -1.102277
H 2.516191 -3.826887 0.562327
H -1.939673 -3.674807 0.136347
H -2.570524 2.390169 -2.102786
H -3.130448 3.828633 -1.175535
H -4.316211 2.725990 -1.963886
H -5.520942 2.204078 0.051751
H -4.508589 3.296258 1.061496
H -4.661757 1.553058 1.479259
H -3.375659 -0.971089 0.608476
H -2.516929 -1.943724 1.859873
H -4.009579 -2.574892 1.102039
H -3.244274 -1.687600 -1.866528
H -2.312151 -3.153261 -2.315819
H -3.886112 -3.313226 -1.473912


