%chk=000050268.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050268

0 1
 O   -1.033300     -0.8933000      7.4000001E-02
 O    3.408800      0.2903000      -1.018000    
 O  -0.1632000      -2.907300      0.7198000    
 N   -5.710200      0.3861000      0.2148000    
 N    1.188900      -1.190900     -0.1314000    
 C   -6.028100      0.4712000      -1.210300    
 C   -6.998300      0.1941000      0.8804000    
 C   -7.273900       1.344600      -1.230600    
 C   -7.909600       1.165300      0.1446000    
 C   -4.767100     -0.6820000      0.5110000    
 C   -3.347900     -0.2479000      0.1587000    
 C   -2.339700      -1.354600      0.4377000    
 C    4.001000       3.763000      0.2883000    
 C    3.316600       2.614600     -0.4498000    
 C    3.183100       5.050700      0.1936000    
 C    4.103700       1.317800     -0.3250000    
 C  -7.4999998E-03  -1.780100      0.2663000    
 C    2.476000      -1.733100     -0.1087000    
 C    3.569400     -0.9886000     -0.5513000    
 C    3.844600       6.188000      0.9558000    
 C    2.662000      -3.032700      0.3625000    
 C    4.848900      -1.543800     -0.5224000    
 C    3.941400      -3.587900      0.3911000    
 C    5.034600      -2.843500     -5.1199999E-02
 H   -5.223500      0.9242000      -1.797400    
 H   -6.262400     -0.5122000      -1.638100    
 H   -7.369400     -0.8313000      0.7552000    
 H   -6.949700      0.4202000       1.950200    
 H   -7.009600       2.397800      -1.382000    
 H   -7.957100       1.050900      -2.034100    
 H   -8.931800      0.7803000      7.1999997E-02
 H   -7.949800       2.130500      0.6630000    
 H   -4.787900     -0.8982000       1.587500    
 H   -5.032300      -1.615500     -1.6000000E-03
 H   -3.067700      0.6495000      0.7253000    
 H   -3.269500      3.0700000E-02 -0.8994000    
 H   -2.348000      -1.612300       1.503200    
 H   -2.584300      -2.245100     -0.1530000    
 H    5.000000       3.928400     -0.1328000    
 H    4.135700       3.492500       1.342800    
 H    2.303800       2.460800     -5.6299999E-02
 H    3.191200       2.865000      -1.510600    
 H    3.065500       5.340500     -0.8570000    
 H    2.178200       4.884900      0.5990000    
 H    4.222300       1.061600      0.7360000    
 H    5.098300       1.436300     -0.7697000    
 H    3.243800       7.099200      0.8735000    
 H    4.841100       6.400700      0.5557000    
 H    3.945500       5.942400       2.017700    
 H    1.118100     -0.2395000     -0.4848000    
 H    1.868800      -3.672700      0.7219000    
 H    5.709400     -0.9800000     -0.8717000    
 H    6.030400      -3.276600     -3.0700000E-02
 H    4.087500      -4.600000      0.7573000    


%chk=000050268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050268

0 1
O -1.173279 -1.143109 0.104343
O 3.007293 0.393255 0.152445
O -0.280684 -3.325130 0.163388
N -5.957125 0.027013 0.265317
N 1.071275 -1.375596 0.161497
C -5.972772 1.083305 -0.781543
C -7.367059 -0.436048 0.355660
C -7.283424 1.869947 -0.503165
C -8.183108 0.878455 0.311907
C -4.981513 -1.059091 0.053260
C -3.522344 -0.564433 0.150185
C -2.537531 -1.731858 0.074382
C 4.267520 3.994994 0.038631
C 3.291673 2.795654 0.054656
C 3.537073 5.354714 -0.049033
C 4.027981 1.456978 0.132928
C -0.117805 -2.077895 0.145107
C 2.383196 -1.905864 0.208625
C 3.443434 -0.946736 0.205816
C 4.506568 6.555663 -0.061845
C 2.695424 -3.283884 0.257211
C 4.788481 -1.361516 0.252780
C 4.048012 -3.695397 0.303217
C 5.089996 -2.744548 0.301623
H -5.073381 1.719568 -0.716951
H -6.000499 0.633310 -1.809096
H -7.642307 -1.089970 -0.513138
H -7.526149 -1.017799 1.281293
H -7.075370 2.776444 0.090136
H -7.761237 2.189918 -1.445602
H -9.173315 0.726542 -0.151922
H -8.343549 1.261414 1.334029
H -5.157501 -1.826500 0.833303
H -5.137628 -1.563003 -0.939682
H -3.389635 -0.022369 1.103825
H -3.299735 0.144206 -0.668932
H -2.645165 -2.426891 0.927925
H -2.651687 -2.314171 -0.859912
H 4.963259 3.900814 -0.821373
H 4.896274 3.978377 0.953321
H 2.605964 2.879361 0.919880
H 2.664238 2.808196 -0.857426
H 2.910308 5.372112 -0.963620
H 2.839596 5.448550 0.807913
H 4.642166 1.392109 1.055079
H 4.689532 1.312676 -0.746441
H 3.960401 7.514411 -0.125936
H 5.195526 6.501361 -0.925906
H 5.122498 6.578687 0.856950
H 1.007795 -0.353421 0.137578
H 1.879690 -4.009920 0.257641
H 5.599257 -0.627318 0.251895
H 6.135686 -3.067765 0.338035
H 4.280483 -4.764801 0.340746


