%chk=000058553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058553

0 1
 O    2.363600       1.039100      -1.084200    
 O   -4.274800       1.707400     -0.3311000    
 N   -2.451000       1.249900       1.027400    
 N    6.003200      -2.636200      0.9582000    
 N   -4.191100      -3.258100     -0.3299000    
 C   0.2056000       2.452400      0.2938000    
 C   -1.127600       3.206400      0.3221000    
 C    1.191400       3.107600     -0.6788000    
 C   -2.112400       2.614400       1.325500    
 C    2.538500       2.395600     -0.7014000    
 C   -3.521200      0.9030000      0.2107000    
 C    3.260800      0.1330000     -0.5806000    
 C   -3.755500     -0.5518000      2.1900000E-02
 C    4.559800      0.5372000     -0.2958000    
 C    2.861600      -1.180100     -0.3607000    
 C    5.472700     -0.3848000      0.2163000    
 C    3.774400      -2.102000      0.1514000    
 C    5.079900      -1.704400      0.4399000    
 C   -5.026900     -0.9905000     -0.2629000    
 C   -2.694000      -1.417900      0.1370000    
 C   -5.192900      -2.355800     -0.4304000    
 C   -2.964400      -2.764200     -4.8300002E-02
 H   0.6402000       2.438300       1.300600    
 H   3.5200000E-02   1.410400     -3.9999999E-04
 H   -1.571600       3.195400     -0.6810000    
 H  -0.9484000       4.256200      0.5835000    
 H   0.7572000       3.083000      -1.685900    
 H    1.342500       4.159400     -0.4099000    
 H   -1.685600       2.632300       2.334100    
 H   -3.027500       3.216500       1.340300    
 H    2.974600       2.486700      0.3021000    
 H    3.197400       2.889700      -1.424600    
 H   -1.904400      0.5355000       1.495800    
 H    4.913500       1.546300     -0.4828000    
 H    1.845400      -1.493000     -0.5835000    
 H    6.489100     -6.4700000E-02  0.4313000    
 H    3.456200      -3.127400      0.3216000    
 H   -5.875700     -0.3226000     -0.3526000    
 H   -1.672700      -1.111400      0.3267000    
 H   -6.168900      -2.773200     -0.6556000    
 H   -2.173700      -3.504300      1.9400001E-02
 H    6.949500      -2.347900       1.168300    
 H    5.719200      -3.593000       1.121500    


%chk=000058553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058553

0 1
O 2.396453 0.923848 -0.480732
O -4.811380 1.769055 -0.195536
N -2.721885 1.454489 0.790444
N 6.579552 -2.795679 0.407776
N -4.504529 -3.329980 -0.038103
C 0.113452 2.627147 0.344331
C -1.223543 3.306448 -0.024988
C 1.279579 3.064492 -0.568550
C -2.403199 2.890005 0.885089
C 2.599423 2.360451 -0.239612
C -3.897508 0.991228 0.225377
C 3.491019 0.063210 -0.234157
C -4.053465 -0.512332 0.149418
C 4.755876 0.479338 0.245267
C 3.266432 -1.309202 -0.499371
C 5.779511 -0.471214 0.457612
C 4.285335 -2.254122 -0.287183
C 5.565550 -1.851981 0.197466
C -5.361661 -1.035867 0.004940
C -2.972188 -1.429903 0.177818
C -5.538050 -2.433449 -0.077473
C -3.245610 -2.813591 0.081421
H 0.366780 2.857974 1.401177
H 0.018338 1.526481 0.269326
H -1.484884 3.076913 -1.076491
H -1.112346 4.408025 0.044826
H 1.021358 2.859810 -1.625645
H 1.439320 4.158550 -0.479863
H -2.171423 3.139958 1.939793
H -3.322214 3.429103 0.598266
H 2.882113 2.525762 0.822915
H 3.420717 2.734226 -0.886609
H -2.053351 0.784675 1.172143
H 4.963087 1.532685 0.456942
H 2.286480 -1.618061 -0.877583
H 6.755268 -0.133942 0.828652
H 4.092763 -3.312853 -0.500177
H -6.208410 -0.345403 -0.048690
H -1.928487 -1.099949 0.235576
H -6.538689 -2.867192 -0.181132
H -2.429933 -3.545341 0.093409
H 7.492905 -2.511994 0.747538
H 6.422643 -3.779415 0.213372


