%chk=000037699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037699

0 1
 O  -0.5900000      -1.313900      -2.103000    
 O    6.382400     -0.5387000      0.6604000    
 N   0.2275000      0.5186000     -0.8639000    
 N    3.663500     -0.7172000     -0.1624000    
 C   -2.139300      0.2352000     -0.9596000    
 C   -1.730800       1.433300     -0.1233000    
 C  -0.7558000     -0.3223000      -1.405700    
 C  -0.3398000       1.550800     -0.1054000    
 C    1.646700      0.3424000      -1.062900    
 C    2.230300     -0.5241000      4.8999999E-02
 C   -2.860700     -0.7972000     -0.1526000    
 C   -2.956900      0.6369000      -2.183800    
 C   -2.526600       2.342000      0.5568000    
 C    4.373700      0.5689000     -0.1292000    
 C    4.222000      -1.627000      0.8475000    
 C   0.2970000       2.566400      0.5873000    
 C    5.867600      0.3406000     -0.3402000    
 C    5.719800      -1.803000      0.6146000    
 C   -4.247100     -0.7391000     -3.3199999E-02
 C   -2.143000      -1.812300      0.4755000    
 C   -1.900000       3.372700       1.261100    
 C  -0.4996000       3.483400       1.276400    
 C   -4.920100      -1.701900      0.7191000    
 C   -2.816100      -2.775000       1.227800    
 C   -4.204600      -2.719700       1.349500    
 H    1.794600     -0.1564000      -2.028900    
 H    2.087200       1.338100      -1.142700    
 H    2.031100     -7.4100003E-02   1.030600    
 H    1.722200      -1.497300      3.9999999E-02
 H   -3.297500     -0.2368000      -2.753000    
 H   -3.829000       1.254800      -1.942800    
 H   -2.346700       1.235700      -2.872900    
 H   -3.608300       2.266400      0.5474000    
 H    4.210900       1.073300      0.8321000    
 H    4.060100       1.241900     -0.9306000    
 H    3.735800      -2.607400      0.7876000    
 H    4.054700      -1.225100       1.855400    
 H    1.376400       2.662500      0.6122000    
 H    6.078500     -7.2600000E-02  -1.334200    
 H    6.405900       1.290200     -0.2557000    
 H    6.148000      -2.431600       1.401800    
 H    5.925500      -2.289400     -0.3468000    
 H   -4.841200      4.6500001E-02 -0.4877000    
 H   -1.060700      -1.883400      0.4410000    
 H   -2.500900       4.098100       1.803100    
 H  -3.2499999E-02   4.292400       1.831700    
 H   -6.000600      -1.656200      0.8189000    
 H   -2.259000      -3.563300       1.725600    
 H   -4.728200      -3.467500       1.937800    


%chk=000037699-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037699

0 1
O -0.706837 -1.116108 -2.193046
O 6.505941 -0.984402 0.396031
N 0.168715 0.616367 -0.846353
N 3.683510 -0.686241 -0.229597
C -2.226610 0.393051 -0.835558
C -1.765473 1.595789 -0.017416
C -0.869202 -0.159533 -1.390348
C -0.346144 1.668300 -0.043277
C 1.587708 0.353952 -1.114156
C 2.239440 -0.481999 0.016408
C -2.913379 -0.725173 -0.011100
C -3.122396 0.823846 -2.035407
C -2.497455 2.577710 0.666112
C 4.515266 0.480829 0.165557
C 4.209123 -1.927298 0.399417
C 0.362181 2.686766 0.621976
C 5.982081 0.239589 -0.230044
C 5.677598 -2.135565 -0.004029
C -3.291817 -1.930264 -0.662607
C -3.169333 -0.596498 1.377011
C -1.804300 3.619959 1.337888
C -0.390740 3.665405 1.318380
C -3.927535 -2.967132 0.052392
C -3.808261 -1.635730 2.092763
C -4.195253 -2.823315 1.434056
H 1.651655 -0.212568 -2.058100
H 2.111890 1.317369 -1.252441
H 2.043748 0.001681 1.005841
H 1.742573 -1.468927 0.034708
H -3.302634 -0.032112 -2.706716
H -4.094476 1.195152 -1.666895
H -2.635557 1.625857 -2.617913
H -3.592656 2.545335 0.681271
H 4.458404 0.661711 1.269388
H 4.149792 1.390217 -0.347575
H 3.607286 -2.787267 0.050773
H 4.140868 -1.884913 1.515492
H 1.455838 2.733893 0.604839
H 6.058784 0.158937 -1.335863
H 6.630542 1.055686 0.129526
H 6.113604 -3.006588 0.512217
H 5.743169 -2.279313 -1.103961
H -3.055552 -2.068001 -1.722591
H -2.865733 0.311445 1.906568
H -2.366607 4.390960 1.874923
H 0.133444 4.470776 1.844981
H -4.208114 -3.889963 -0.467833
H -3.999489 -1.515230 3.165302
H -4.691208 -3.627842 1.988707


