%chk=000018860.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018860

0 1
 O    1.408800      0.3682000     -0.8862000    
 O    2.924700      -1.690200       1.544300    
 O    1.794000      -1.135900      -2.592800    
 N   0.4211000       4.346100      0.2035000    
 C   0.8097000      -1.885000     -0.4968000    
 C  -0.4667000      -2.503700      -1.110400    
 C    1.855600      -2.972400     -0.1841000    
 C   -1.669000      -1.617800     -0.9973000    
 C   0.4480000       3.086500     -0.5302000    
 C    1.397100     -0.8672000      -1.465900    
 C    1.880800       2.724200     -0.9076000    
 C   -2.532100      -1.671800      0.1094000    
 C    1.938900       1.422300      -1.695100    
 C    3.116600      -2.400900      0.4243000    
 C   -1.906400     -0.7246000      -2.042500    
 C   -3.651800     -0.8075000      0.1563000    
 C  -0.9562000       4.730500      0.5178000    
 C    1.212300       4.244800       1.431200    
 C   -2.308700      -2.564600       1.170300    
 C   -3.007300      0.1256000      -1.996000    
 C   -3.875100      8.5600004E-02 -0.9044000    
 C    4.407500      -2.473200      4.7800001E-02
 C   -4.515000     -0.8612000       1.262900    
 C   -1.796500       4.841800     -0.7431000    
 C    1.247500       5.570400       2.172600    
 C   -3.176800      -2.604600       2.261700    
 C   -4.278000      -1.754600       2.307900    
 C    5.111600      -1.733000       1.027200    
 C    4.165300      -1.277600       1.915300    
 H   0.5506000      -1.372900      0.4399000    
 H  -0.2924000      -2.728900      -2.172800    
 H  -0.6688000      -3.491400     -0.6816000    
 H    1.435500      -3.702800      0.5183000    
 H    2.118300      -3.518600      -1.099100    
 H  -1.4400000E-02   2.281600      5.5599999E-02
 H  -0.1018000       3.162500      -1.474000    
 H    2.340500       3.527100      -1.495700    
 H    2.499200       2.551200     -2.2200000E-02
 H    2.980100       1.194000      -1.951000    
 H    1.353100       1.508200      -2.617900    
 H   -1.244000     -0.6787000      -2.903000    
 H   -1.429600       4.026800       1.214100    
 H  -0.9833000       5.722900      0.9795000    
 H   0.8434000       3.453700       2.096000    
 H    2.262400       4.034800       1.214400    
 H   -1.458500      -3.238700       1.201800    
 H   -3.191100      0.8214000      -2.809400    
 H   -4.728900      0.7598000     -0.8890000    
 H    4.816600      -2.982500     -0.8126000    
 H   -5.381500     -0.2058000       1.320300    
 H   -1.289000       5.420700      -1.522400    
 H   -2.077300       3.864300      -1.147500    
 H   -2.733900       5.360800     -0.5123000    
 H    1.492100       6.403700       1.504800    
 H   0.3051000       5.788900       2.684300    
 H    2.021000       5.537100       2.948400    
 H   -2.990800      -3.296500       3.078200    
 H   -4.952700      -1.785500       3.158500    
 H    6.175700      -1.553500       1.079100    
 H    4.209500     -0.6797000       2.813800    


%chk=000018860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018860

0 1
O 1.588923 0.224604 -0.751965
O 3.465268 -2.823000 1.458217
O 1.720572 -1.152951 -2.628189
N -0.331965 3.938105 0.265967
C 1.028224 -2.096626 -0.452964
C -0.397892 -2.583780 -0.873218
C 2.034116 -3.288395 -0.509310
C -1.463578 -1.497498 -0.844056
C 0.040178 2.806411 -0.627565
C 1.485411 -0.994702 -1.404966
C 1.570122 2.656247 -0.773033
C -2.052245 -1.045125 0.398409
C 1.965264 1.417613 -1.578014
C 3.383868 -2.966233 0.049989
C -1.876385 -0.906653 -2.046898
C -3.047598 0.011445 0.367345
C -1.644173 4.540484 -0.095554
C -0.267034 3.545181 1.702960
C -1.697371 -1.601209 1.674526
C -2.858241 0.131147 -2.075950
C -3.432603 0.585156 -0.889136
C 4.636886 -2.745484 -0.499010
C -3.630558 0.466409 1.596547
C -1.570380 5.429902 -1.351472
C -0.071597 4.743689 2.650608
C -2.283795 -1.139818 2.855593
C -3.258421 -0.093738 2.819630
C 5.546511 -2.452806 0.592605
C 4.804785 -2.507731 1.758408
H 1.000709 -1.679622 0.567914
H -0.323273 -2.994767 -1.897049
H -0.671329 -3.424882 -0.206831
H 1.592294 -4.139040 0.046002
H 2.152153 -3.600243 -1.562503
H -0.396043 1.844392 -0.268688
H -0.390537 2.992793 -1.629121
H 1.975773 3.555185 -1.275536
H 2.048942 2.604977 0.222657
H 3.053452 1.364945 -1.762305
H 1.439072 1.348818 -2.547942
H -1.431987 -1.249807 -2.988671
H -2.429281 3.752016 -0.232198
H -1.972679 5.165336 0.754739
H -1.175262 2.961923 2.002600
H 0.590546 2.858182 1.824901
H -0.956245 -2.405338 1.727067
H -3.155984 0.564532 -3.037000
H -4.188952 1.379314 -0.900882
H 4.878437 -2.782972 -1.559524
H -4.381432 1.265049 1.557828
H -0.837111 6.240757 -1.197776
H -1.261604 4.857920 -2.245470
H -2.557948 5.879582 -1.567296
H 0.848936 5.292126 2.384218
H -0.915853 5.455813 2.603208
H 0.012095 4.396419 3.697618
H -1.997967 -1.580310 3.817164
H -3.710767 0.260838 3.752304
H 6.609523 -2.232596 0.516061
H 5.031033 -2.367785 2.811604


