%chk=000036488.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036488

0 1
 O   -5.288700      0.9464000      0.7261000    
 O   -5.614000     -2.6900001E-02  -1.340300    
 N   -1.526400      -1.308300      0.2703000    
 C  -0.1997000     -0.8102000     -8.9699998E-02
 C   0.8788000      -1.742900      0.4765000    
 C  -1.7000000E-03  0.6227000      0.4236000    
 C    2.264100      -1.201600      0.2048000    
 C    1.404100       1.108300      0.1529000    
 C    2.473400      0.1889000      6.8499997E-02
 C   -2.563900     -0.3969000     -0.2125000    
 C    3.785500      0.6723000     -0.1563000    
 C    3.348600      -2.085600      0.1382000    
 C    1.647800       2.482700      3.5200000E-02
 C   -1.733900      -2.650800     -0.2720000    
 C   -3.944600     -0.8991000      0.1992000    
 C    4.852200     -0.2360000     -0.2364000    
 C    4.000000       2.052900     -0.2880000    
 C    4.634700      -1.604500     -8.7399997E-02
 C    2.938700       2.950900     -0.1904000    
 C   -5.042800      3.3399999E-02 -0.2602000    
 C   -6.312200       1.904300      0.4379000    
 H  -9.4400004E-02 -0.7921000      -1.186400    
 H   0.8387000      -2.728900      3.1999999E-03
 H   0.7622000      -1.873200       1.560000    
 H  -0.1929000      0.6901000       1.502000    
 H  -0.6676000       1.320900     -9.4300002E-02
 H   -2.518700     -0.2643000      -1.301500    
 H   -2.479600      0.5941000      0.2431000    
 H    3.196200      -3.155000      0.2604000    
 H   0.8316000       3.196100      0.1171000    
 H   -1.018600      -3.379200      0.1188000    
 H   -1.688000      -2.671000      -1.367000    
 H   -2.685400      -3.087700      4.3000001E-02
 H   -4.018600      -1.037500       1.285000    
 H   -4.207000      -1.859300     -0.2567000    
 H    5.867200      0.1164000     -0.4089000    
 H    5.000800       2.443200     -0.4615000    
 H    5.470700      -2.295700     -0.1438000    
 H    3.120200       4.017400     -0.2866000    
 H   -6.408200       2.569200       1.300400    
 H   -7.269100       1.399000      0.2758000    
 H   -6.036500       2.501200     -0.4367000    


%chk=000036488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036488

0 1
O -4.781388 1.413962 0.006675
O -6.252580 -0.389440 -0.083297
N -1.584986 -1.508858 0.194589
C -0.250598 -0.902303 -0.103656
C 0.914241 -1.870815 0.213835
C -0.042811 0.374022 0.754388
C 2.275920 -1.223537 -0.008302
C 1.304181 1.029317 0.496917
C 2.428511 0.201190 0.142317
C -2.720855 -0.695173 -0.309596
C 3.726449 0.809103 -0.068512
C 3.388927 -1.997917 -0.357037
C 1.479755 2.412771 0.613395
C -1.741865 -2.928220 -0.193446
C -3.916936 -0.721827 0.682744
C 4.840764 -0.024526 -0.412338
C 3.863933 2.229061 0.075825
C 4.673918 -1.403463 -0.552107
C 2.759542 3.015761 0.407679
C -5.113480 0.061189 0.174985
C -5.871725 2.285426 -0.493818
H -0.172603 -0.621553 -1.186365
H 0.853481 -2.785573 -0.401536
H 0.810805 -2.185416 1.274308
H -0.121896 0.058874 1.815467
H -0.848499 1.110675 0.586159
H -3.062580 -1.054072 -1.310175
H -2.406606 0.352410 -0.441216
H 3.273795 -3.081359 -0.484374
H 0.621691 3.045672 0.870828
H -1.051957 -3.572085 0.375033
H -1.581042 -3.111715 -1.285287
H -2.767023 -3.256311 0.052297
H -3.573039 -0.291940 1.640073
H -4.250590 -1.755888 0.867796
H 5.822890 0.437970 -0.566948
H 4.848269 2.685775 -0.081996
H 5.526156 -2.038197 -0.819072
H 2.866981 4.101268 0.511060
H -5.414359 3.279764 -0.593724
H -6.706797 2.302749 0.226757
H -6.242996 1.916933 -1.464926


