%chk=000047329.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047329

0 1
 O   -2.368000      0.1557000     -0.1810000    
 O    2.797200      -1.942300     -0.6548000    
 O    1.233600      -2.525200      0.9643000    
 O  -0.7778000       1.304700      -1.375100    
 N  -0.2036000     -0.3598000      0.1359000    
 C    1.228100     -0.3045000     -2.4599999E-02
 C    1.859400      0.6529000      0.9882000    
 C    3.219900       1.147400      0.5620000    
 C    1.719300      -1.728800      0.1699000    
 C    4.365200      0.4398000      0.9275000    
 C    3.332500       2.311900     -0.1978000    
 C   -1.085900      0.4489000     -0.5523000    
 C    5.622800      0.8967000      0.5334000    
 C    4.590200       2.768600     -0.5919000    
 C   -3.394200      0.9233000     -0.8201000    
 C    5.735300       2.061000     -0.2262000    
 C   -4.731200      0.4795000     -0.3038000    
 C   -5.419500     -0.5506000     -0.9450000    
 C   -5.285900       1.096400      0.8177000    
 C   -6.662400     -0.9634000     -0.4651000    
 C   -6.528800      0.6834000       1.297600    
 C   -7.217000     -0.3465000      0.6562000    
 C    3.354900      -3.200800     -0.5380000    
 C    4.615900      -3.448200     -0.1772000    
 H    1.429000      1.0600000E-02  -1.056000    
 H    1.935500      0.1803000       1.976900    
 H    1.210600       1.526800       1.139200    
 H  -0.5947000      -1.014300      0.8078000    
 H    4.292000     -0.4655000       1.524000    
 H    2.447500       2.870400     -0.4911000    
 H    6.514400      0.3460000      0.8187000    
 H    4.677900       3.674800      -1.184100    
 H   -3.242900       1.989800     -0.6113000    
 H   -3.341400      0.7800000      -1.906600    
 H    6.714500       2.416600     -0.5332000    
 H   -4.996800      -1.040500      -1.818200    
 H   -4.758400       1.898400       1.327200    
 H   -7.198200      -1.765700     -0.9640000    
 H   -6.960600       1.163100       2.171100    
 H   -8.184500     -0.6683000       1.030200    
 H    2.650400      -3.983000     -0.7888000    
 H    5.299300      -2.640800      5.9799999E-02
 H    4.981300      -4.466900     -0.1152000    


%chk=000047329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047329

0 1
O -2.478775 0.061704 -0.189886
O 3.005216 -1.874790 -0.478958
O 1.255536 -2.655922 0.868351
O -0.796653 1.410925 -1.159073
N -0.295416 -0.525579 0.062865
C 1.154382 -0.389495 -0.096559
C 1.742390 0.695212 0.887391
C 3.176488 1.093398 0.586079
C 1.768909 -1.758893 0.160695
C 4.249239 0.664945 1.406516
C 3.462749 1.907396 -0.541176
C -1.147912 0.401714 -0.486244
C 5.580284 1.034798 1.108148
C 4.791288 2.276474 -0.844543
C -3.501676 1.003679 -0.757548
C 5.855925 1.840165 -0.020717
C -4.853665 0.552793 -0.263014
C -5.650796 -0.321295 -1.043656
C -5.344671 0.995448 0.991361
C -6.914518 -0.749809 -0.579442
C -6.606677 0.568459 1.459749
C -7.394772 -0.305449 0.674330
C 3.761104 -3.070088 -0.290475
C 4.980606 -3.170007 -0.856098
H 1.383916 -0.066533 -1.126987
H 1.634583 0.323213 1.922874
H 1.075657 1.568931 0.768376
H -0.662257 -1.314191 0.601944
H 4.042350 0.039579 2.284313
H 2.638275 2.258485 -1.175150
H 6.398546 0.698137 1.754848
H 4.996678 2.908075 -1.716338
H -3.245770 2.024797 -0.423426
H -3.423892 0.967772 -1.858715
H 6.886991 2.130394 -0.252370
H -5.277853 -0.668545 -2.014886
H -4.734235 1.672244 1.601339
H -7.522379 -1.424916 -1.191895
H -6.976680 0.916636 2.430497
H -8.375627 -0.634782 1.035386
H 3.265331 -3.834723 0.317080
H 5.408951 -2.353426 -1.444205
H 5.563735 -4.085029 -0.724580


