%chk=000060380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060380

0 1
 O  -0.9974000      -1.045400     -3.2099999E-02
 O   -1.602200       3.548200      0.5896000    
 O   0.4120000      -2.173500       1.362800    
 N    1.211000     -0.3218000      0.1668000    
 N   -4.384100      -2.494600     -0.1588000    
 C   -3.291800      -1.569700     -0.4594000    
 C   0.8814000       1.029500     -0.2040000    
 C   -2.034600      -1.958200      0.3024000    
 C    2.590400     -0.7425000      0.1228000    
 C   0.2244000      -1.249000      0.5726000    
 C  -0.2084000       1.621200      0.3860000    
 C    1.670900       1.663500      -1.131800    
 C  -0.5289000       2.930100      2.5500000E-02
 C    3.563800      0.1968000      0.3510000    
 C    2.859900      -2.060800     -0.1442000    
 C   -4.002400      -3.864500     -0.5001000    
 C   -5.595400      -2.106600     -0.8804000    
 C    1.350500       2.972200      -1.492300    
 C   0.2507000       3.605500     -0.9136000    
 C    4.897400     -0.2098000      0.3089000    
 C    4.193600      -2.467300     -0.1861000    
 C    5.212300      -1.541700      4.0500000E-02
 C   -2.695000       2.720200      0.9845000    
 C   -3.977900       3.518300      0.8894000    
 H   -3.571500     -0.5485000     -0.1708000    
 H   -3.074200      -1.531800      -1.535500    
 H   -2.217000      -1.923300       1.383300    
 H   -1.679600      -2.955300      2.5500000E-02
 H  -0.7650000       1.113700       1.166600    
 H    2.480900       1.188400      -1.675500    
 H   -3.282500      -4.278100      0.2129000    
 H   -3.599600      -3.948700      -1.516200    
 H   -4.872400      -4.529700     -0.4344000    
 H   -6.431400      -2.762000     -0.6119000    
 H   -5.460600      -2.146500      -1.967500    
 H   -5.897000      -1.089200     -0.6074000    
 H    3.371300       1.221700      0.6503000    
 H    2.094700      -2.798100     -0.3627000    
 H    1.944700       3.491700      -2.238300    
 H   3.1000001E-03   4.623500      -1.201800    
 H    5.690600      0.5060000      0.5047000    
 H    4.439700      -3.502800     -0.4028000    
 H    6.250600      -1.858800      1.0500000E-02
 H   -2.541400       2.388500       2.017300    
 H   -2.801700       1.846700      0.3296000    
 H   -4.837700       2.915400       1.195000    
 H   -3.926600       4.407900       1.525800    
 H   -4.138800       3.869300     -0.1353000    


%chk=000060380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060380

0 1
O -1.147499 -1.466661 -0.338127
O -1.317706 3.728838 0.481053
O 0.443746 -2.894592 0.604145
N 0.970944 -0.649444 0.003470
N -4.460514 -3.092064 -0.947039
C -3.355081 -2.110938 -1.043860
C 0.406333 0.567223 -0.577331
C -2.133853 -2.577276 -0.241496
C 2.359201 -0.630943 0.413709
C 0.137481 -1.767258 0.136478
C -0.177018 1.522599 0.284022
C 0.482930 0.781655 -1.966936
C -0.710621 2.712413 -0.268299
C 3.109518 0.562327 0.214050
C 3.000715 -1.754296 1.007883
C -4.228351 -4.314873 -1.744998
C -5.775951 -2.488091 -1.242737
C -0.053348 1.976540 -2.504612
C -0.648360 2.939526 -1.667672
C 4.464077 0.628322 0.599779
C 4.357433 -1.668404 1.387442
C 5.102641 -0.484817 1.190368
C -1.408533 3.546706 1.945237
C -2.090376 4.792044 2.503922
H -3.700155 -1.151802 -0.617176
H -3.048216 -1.908120 -2.100410
H -2.398178 -2.743987 0.817278
H -1.672326 -3.497817 -0.639059
H -0.207681 1.315943 1.356934
H 0.948310 0.027973 -2.608926
H -3.295377 -4.812651 -1.430543
H -4.160355 -4.113043 -2.844771
H -5.057501 -5.024967 -1.577858
H -6.572293 -3.233244 -1.065600
H -5.873826 -2.125322 -2.297672
H -5.954221 -1.632078 -0.568171
H 2.640822 1.437373 -0.242661
H 2.441358 -2.676336 1.164865
H -0.006133 2.156540 -3.583906
H -1.067358 3.867827 -2.067539
H 5.019059 1.558587 0.433725
H 4.831681 -2.545233 1.843095
H 6.155119 -0.430705 1.488332
H -0.388682 3.422684 2.364107
H -1.995348 2.631187 2.165281
H -2.185442 4.711484 3.601990
H -1.503325 5.696089 2.268800
H -3.098941 4.911177 2.072835


