%chk=000032201.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032201

0 1
 O   -1.922500       1.110200      0.6391000    
 O    1.720000     -0.6524000      0.1427000    
 O   -4.172200     -0.3008000     -0.1304000    
 O   0.6106000      0.8054000       1.536800    
 N    5.363200     -0.1214000     -3.3599999E-02
 C    4.066700     -0.7384000     -0.3121000    
 C    2.960400     -3.2699998E-02  0.4557000    
 C   -1.818900     -0.2088000      0.3073000    
 C  -0.6049000     -0.8654000      0.3470000    
 C   -1.758200       2.056500     -0.4142000    
 C   -1.887600       3.458900      0.1601000    
 C   -2.957600     -0.9156000     -7.9599999E-02
 C   0.6202000     -0.1326000      0.7548000    
 C  -0.4831000      -2.200900      1.5100000E-02
 C    5.341200       1.296900     -0.3895000    
 C    6.425800     -0.8145000     -0.7609000    
 C   -2.859000      -2.265000     -0.4191000    
 C   -1.621700      -2.907500     -0.3717000    
 C   -1.738000       4.524000     -0.9113000    
 C   -5.284500      -1.096000     -0.5360000    
 H    3.833900     -0.7297000      -1.385700    
 H    4.077900      -1.794500     -1.3100000E-02
 H    3.140700     -0.1005000       1.535600    
 H    2.869200       1.019600      0.1695000    
 H  -0.7733000       1.930000     -0.8794000    
 H   -2.527600       1.891500      -1.178100    
 H   -2.859500       3.564700      0.6569000    
 H   -1.132200       3.607200      0.9411000    
 H   0.4637000      -2.730900      5.7000000E-02
 H    6.353300       1.717400     -0.3404000    
 H    4.961200       1.471000      -1.402900    
 H    4.760000       1.888700      0.3244000    
 H    7.405000     -0.3924000     -0.5087000    
 H    6.292600     -0.7527000      -1.847200    
 H    6.460100      -1.872300     -0.4771000    
 H   -3.699200      -2.877200     -0.7277000    
 H   -1.544700      -3.959200     -0.6327000    
 H   -2.508400       4.416700      -1.681600    
 H   -1.834700       5.521300     -0.4709000    
 H  -0.7576000       4.459700      -1.394000    
 H   -6.166800     -0.4475000     -0.5198000    
 H   -5.171800      -1.452800      -1.565500    
 H   -5.476700      -1.911300      0.1697000    


%chk=000032201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032201

0 1
O -1.796391 1.147166 0.478699
O 1.940814 -0.487694 -0.190338
O -4.079428 -0.299854 -0.012138
O 0.823737 1.511230 -0.611950
N 5.658061 -0.124022 0.091183
C 4.325092 -0.767357 0.035996
C 3.219218 0.276604 -0.163169
C -1.700348 -0.085136 -0.167831
C -0.423517 -0.606449 -0.511933
C -2.395703 2.278812 -0.284941
C -2.328070 3.503361 0.628041
C -2.861740 -0.898283 -0.366320
C 0.784396 0.269983 -0.436738
C -0.302579 -1.941052 -0.988760
C 6.160617 0.290805 -1.235182
C 6.651072 -0.934630 0.824901
C -2.732626 -2.212768 -0.868733
C -1.450231 -2.731085 -1.168689
C -2.921697 4.755432 -0.054372
C -5.289420 -1.118939 -0.118173
H 4.254266 -1.540527 -0.769942
H 4.142781 -1.282519 0.996194
H 3.197648 0.998782 0.670665
H 3.315967 0.839185 -1.108927
H -1.793254 2.432168 -1.201558
H -3.439192 2.022697 -0.551698
H -2.874531 3.280200 1.563687
H -1.270922 3.676773 0.900340
H 0.691882 -2.329856 -1.220944
H 7.115353 0.832665 -1.114264
H 6.336294 -0.573930 -1.925526
H 5.447847 0.977420 -1.722878
H 7.595192 -0.367752 0.915246
H 6.884713 -1.911889 0.330123
H 6.282382 -1.145410 1.844210
H -3.616023 -2.841740 -1.015655
H -1.358111 -3.754685 -1.546382
H -3.985749 4.605292 -0.318648
H -2.861432 5.631964 0.615169
H -2.373852 5.003402 -0.982921
H -6.104133 -0.470984 0.236449
H -5.482179 -1.421882 -1.165964
H -5.221204 -2.018798 0.523272


