%chk=000025266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025266

0 1
 O   0.9714000      -1.693600     -0.8500000    
 O    2.925700      0.7301000      -2.210300    
 N   -3.633800     -0.4313000     -3.8400002E-02
 C   -2.515200      -1.221600      0.4609000    
 C   -4.903900     -0.9642000      0.4577000    
 C   -3.486900      0.9729000      0.3490000    
 C   -1.300100      -1.050700     -0.4451000    
 C   -5.296400      -2.214100     -0.3259000    
 C   -4.287700       1.868800     -0.5925000    
 C  -0.1204000      -1.882600      3.9500002E-02
 C   -6.624900      -2.775900      0.1564000    
 C   -4.134500       3.336500     -0.2241000    
 C    2.229500      -1.782100     -0.3128000    
 C    3.110000     -0.7017000     -0.3700000    
 C    2.624500      -2.972300      0.2983000    
 C    4.385500     -0.8116000      0.1841000    
 C    2.717400      0.5500000      -1.002200    
 C    3.899900      -3.082000      0.8523000    
 C    4.780400      -2.001800      0.7952000    
 C    2.058500       1.655200     -0.2448000    
 C    1.799400       1.509000       1.118000    
 C    1.702400       2.834300     -0.8998000    
 C    1.184000       2.541600       1.825700    
 C    1.087200       3.866700     -0.1919000    
 C   0.8280000       3.720300       1.170800    
 H   -2.745000      -2.291900      0.4819000    
 H   -2.267400     -0.9501000       1.496100    
 H   -5.718400     -0.2419000      0.3354000    
 H   -4.849200      -1.182000       1.532900    
 H   -2.442500       1.299700      0.2889000    
 H   -3.791900       1.132200       1.392000    
 H   -1.548700      -1.348200      -1.472600    
 H  -0.9781000     -5.5000000E-03 -0.5118000    
 H   -5.381300      -1.972400      -1.392800    
 H   -4.548300      -3.008000     -0.2384000    
 H   -3.944000       1.725400      -1.624500    
 H   -5.355100       1.626800     -0.5754000    
 H   0.1468000      -1.577900       1.059800    
 H  -0.3853000      -2.946100      5.0299998E-02
 H   -6.569900      -3.061400       1.211800    
 H   -7.428300      -2.041400      3.9700001E-02
 H   -6.893100      -3.665300     -0.4225000    
 H   -4.499400       3.526300      0.7904000    
 H   -3.086200       3.647800     -0.2767000    
 H   -4.708500       3.962800     -0.9143000    
 H    1.952700      -3.825100      0.3434000    
 H    5.080800      2.3100000E-02  0.1459000    
 H    4.208100      -4.009200       1.326600    
 H    5.773500      -2.087500       1.226200    
 H    2.059900      0.6071000       1.663400    
 H    1.892300       2.974100      -1.960500    
 H   0.9809000       2.427600       2.886500    
 H   0.8090000       4.784600     -0.7016000    
 H   0.3481000       4.523900       1.721600    


%chk=000025266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025266

0 1
O 1.062626 -0.899129 -0.036119
O 3.988805 0.516918 -2.313974
N -3.825492 -0.437027 0.359216
C -2.644880 -1.248782 0.745677
C -5.089676 -1.220201 0.367112
C -3.928457 0.839331 1.116061
C -1.336212 -0.715777 0.121196
C -5.262708 -2.106121 -0.885855
C -4.639572 1.956658 0.322452
C -0.124441 -1.540704 0.560936
C -6.560555 -2.941205 -0.834928
C -4.771747 3.258830 1.141906
C 2.324385 -1.439858 0.230792
C 3.437375 -0.776670 -0.372181
C 2.525576 -2.611425 1.004648
C 4.726071 -1.348664 -0.225611
C 3.318129 0.453700 -1.235439
C 3.827283 -3.133473 1.166133
C 4.933798 -2.510277 0.546041
C 2.486959 1.625088 -0.799728
C 2.176923 1.863306 0.564564
C 2.067136 2.560027 -1.782466
C 1.457648 3.017743 0.939340
C 1.331188 3.702937 -1.410679
C 1.026047 3.936018 -0.047502
H -2.809925 -2.284541 0.392535
H -2.533960 -1.309445 1.860741
H -5.934855 -0.507644 0.406222
H -5.173336 -1.856008 1.286752
H -2.905302 1.185830 1.355913
H -4.448404 0.692324 2.098078
H -1.426753 -0.738039 -0.978932
H -1.165570 0.337949 0.409098
H -5.257437 -1.450926 -1.777105
H -4.392286 -2.783351 -0.992064
H -4.067977 2.140059 -0.606596
H -5.645113 1.613571 0.008728
H -0.024885 -1.549860 1.667278
H -0.197376 -2.589065 0.202659
H -6.566609 -3.619666 0.039486
H -7.452177 -2.290076 -0.759577
H -6.673090 -3.560507 -1.743101
H -5.363061 3.094784 2.062943
H -3.778618 3.642213 1.444727
H -5.272919 4.050388 0.556003
H 1.678577 -3.125895 1.466865
H 5.561870 -0.855739 -0.733199
H 3.970842 -4.037865 1.768122
H 5.940300 -2.924686 0.660033
H 2.513306 1.153467 1.328001
H 2.332854 2.370275 -2.827694
H 1.236026 3.205389 1.995996
H 0.999480 4.413815 -2.175480
H 0.461687 4.829407 0.243777


