%chk=000020476.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020476

0 1
 O  -0.1551000       1.178000     -0.4132000    
 O    1.183600      0.4340000      -2.138800    
 N    4.508300      0.4902000      0.5235000    
 C   -1.325100      0.5937000     -0.9556000    
 C   -2.578800       1.094400     -0.2666000    
 C   -1.362100     -0.8887000     -0.6339000    
 C   -3.253000      2.4900001E-02  0.3652000    
 C   -2.505200      -1.193900      0.1395000    
 C    3.472800      0.3916000     -0.4975000    
 C   -3.072500       2.387200     -0.2189000    
 C  -0.4625000      -1.871900      -1.009500    
 C    2.129000      0.8465000      6.4300001E-02
 C   -4.432500      0.2466000       1.056600    
 C   -2.751900      -2.493900      0.5492000    
 C    1.033500      0.7834000     -0.9761000    
 C    5.801000      5.5000000E-02 -8.9999996E-03
 C    4.150800     -0.3049000       1.699700    
 C   -4.261300       2.610000      0.4781000    
 C  -0.7113000      -3.181900     -0.5960000    
 C   -4.934400       1.550500       1.109800    
 C   -1.844200      -3.489700      0.1760000    
 C    6.168500      0.8803000      -1.227100    
 C    5.202500     -0.1413000       2.780100    
 H   -1.407900      0.7648000      -2.036000    
 H    3.388700     -0.6312000     -0.8891000    
 H    3.685400       1.048400      -1.347800    
 H    2.193700       1.876400      0.4331000    
 H    1.774200      0.1885000      0.8630000    
 H   -2.555200       3.205700     -0.7070000    
 H   0.4017000      -1.690000      -1.630800    
 H   -4.964300     -0.5610000       1.548400    
 H   -3.623300      -2.747700       1.143600    
 H    6.601300      0.2255000      0.7181000    
 H    5.803800      -1.011400     -0.2670000    
 H    3.230700      5.7000000E-02   2.165500    
 H    4.014500      -1.366600       1.459800    
 H   -4.673000       3.614300      0.5335000    
 H  -2.6300000E-02  -3.976300     -0.8806000    
 H   -5.858600       1.748800       1.646400    
 H   -2.017800      -4.517400      0.4842000    
 H    5.607900      0.5867000      -2.120200    
 H    6.032500       1.953600      -1.053400    
 H    7.227100      0.7248000      -1.466000    
 H    6.116000     -0.7050000       2.566800    
 H    5.461400      0.9105000       2.945100    
 H    4.816200     -0.5314000       3.729000    


%chk=000020476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020476

0 1
O -0.050517 0.389009 0.010293
O 1.226521 -0.094638 -1.884208
N 4.793418 0.445349 0.564105
C -1.307975 0.135407 -0.784893
C -2.454037 0.889634 -0.129659
C -1.764002 -1.318352 -0.720658
C -3.480603 -0.023506 0.252982
C -3.051213 -1.392933 -0.109990
C 3.632406 -0.068635 -0.202924
C -2.584281 2.265860 0.107370
C -1.114212 -2.472187 -1.186602
C 2.326910 0.650547 0.203132
C -4.658586 0.447528 0.868048
C -3.694808 -2.637584 0.044525
C 1.157336 0.266915 -0.684432
C 6.069507 0.358489 -0.198897
C 4.891482 -0.153792 1.924134
C -3.766833 2.739598 0.732336
C -1.759980 -3.725305 -1.023534
C -4.793448 1.837414 1.104905
C -3.036164 -3.804690 -0.413804
C 6.190758 1.438846 -1.290393
C 5.640321 0.746209 2.925649
H -1.093108 0.451741 -1.824146
H 3.506522 -1.173282 -0.083920
H 3.800356 0.111092 -1.278103
H 2.495256 1.741237 0.107013
H 2.054488 0.467237 1.256318
H -1.787817 2.962505 -0.175258
H -0.134470 -2.402932 -1.670060
H -5.457959 -0.242236 1.160684
H -4.685968 -2.708204 0.506017
H 6.898693 0.491514 0.519419
H 6.204495 -0.656321 -0.652534
H 3.863402 -0.314186 2.298865
H 5.372767 -1.164455 1.887832
H -3.888485 3.810555 0.928256
H -1.270782 -4.639266 -1.377975
H -5.701795 2.220879 1.583130
H -3.520792 -4.781006 -0.300175
H 5.393617 1.350574 -2.050775
H 6.120348 2.443609 -0.838682
H 7.161428 1.351355 -1.813554
H 6.685164 0.929176 2.615719
H 5.135129 1.724255 3.007255
H 5.666309 0.274078 3.925586


