%chk=000022896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022896

0 1
 O    1.200100     -0.5922000       2.680600    
 O   3.2699998E-02  -2.309000       1.786600    
 N    4.444000      -1.009600     -0.3287000    
 N   0.5909000       3.424900     -0.1493000    
 C   0.6539000     -0.4399000      0.3128000    
 C    1.995200     -0.8477000     -0.3865000    
 C   0.6459000       1.091900      0.6476000    
 C  -0.6086000     -0.7668000     -0.5195000    
 C    3.269300     -0.5890000      0.4310000    
 C   0.5842000       2.025300     -0.5691000    
 C   0.5864000      -1.224800       1.645200    
 C   -1.862700     -0.4849000     -2.0199999E-02
 C  -0.3755000      -1.338200      -1.746300    
 C   -2.977100     -0.8080000     -0.8305000    
 C   -1.471400      -1.655500      -2.543200    
 C   -2.075400      0.1001000       1.238800    
 C   -2.764400      -1.392700      -2.089600    
 C    4.521600     -0.2837000      -1.596500    
 C    5.662400     -0.8006000      0.4539000    
 C   0.6394000       4.309000      -1.313800    
 C  -0.5865000       3.720600      0.6670000    
 C   -4.271400     -0.5365000     -0.3580000    
 C   -3.368400      0.3625000       1.692300    
 C   -4.464400      4.4799998E-02  0.8955000    
 H    1.979100      -1.924300     -0.6094000    
 H    2.047100     -0.3023000      -1.332700    
 H  -8.6199999E-02   1.381300       1.385700    
 H    1.575300       1.341300       1.176100    
 H    3.362900      0.4668000      0.7030000    
 H    3.235800      -1.173100       1.356200    
 H  -0.3015000       1.818900      -1.181100    
 H    1.462900       1.842100      -1.197900    
 H   0.5909000      -1.571300      -2.170400    
 H   -1.322200      -2.107800      -3.519600    
 H   -1.329500      0.2442000       2.003700    
 H   -3.606300      -1.649000      -2.729300    
 H    3.796400     -0.6557000      -2.326700    
 H    5.497200     -0.4489000      -2.070900    
 H    4.397000      0.7983000      -1.472800    
 H    5.618700      -1.362400       1.393700    
 H    5.826100      0.2569000      0.6911000    
 H    6.538400      -1.172000     -8.9699998E-02
 H  -0.2399000       4.193100      -1.958000    
 H    1.535100       4.109600      -1.912900    
 H   0.7023000       5.357200      -1.000500    
 H  -0.4995000       3.319600       1.680800    
 H   -1.517000       3.363200      0.2109000    
 H  -0.6878000       4.803800      0.8101000    
 H   -5.142800     -0.7780000     -0.9632000    
 H    1.137700      -1.108600       3.512100    
 H   -3.523100      0.7835000       2.681800    
 H   -5.471000      0.2420000       1.252600    


%chk=000022896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022896

0 1
O 0.942914 -0.479327 2.814536
O 0.563721 -2.445988 1.661995
N 4.428513 -0.903672 -0.440721
N 0.575022 3.533350 -0.251971
C 0.622985 -0.328783 0.363038
C 1.928733 -0.736668 -0.416194
C 0.631159 1.208150 0.679450
C -0.661273 -0.708681 -0.433233
C 3.245456 -0.480353 0.349536
C 0.816527 2.101874 -0.567045
C 0.674325 -1.202293 1.634616
C -1.980521 -0.610606 0.172728
C -0.574442 -1.113833 -1.771749
C -3.152979 -0.907133 -0.634347
C -1.728749 -1.408429 -2.558631
C -2.206674 -0.243820 1.546018
C -2.999639 -1.301106 -2.002952
C 4.734785 0.007616 -1.561940
C 5.613673 -1.129359 0.412976
C 1.247053 4.438790 -1.206404
C -0.859936 3.864110 -0.120549
C -4.462815 -0.815123 -0.055961
C -3.493464 -0.166926 2.083244
C -4.638854 -0.449526 1.277874
H 1.886292 -1.813222 -0.658675
H 1.947144 -0.178471 -1.368338
H -0.315623 1.479066 1.173975
H 1.429767 1.440886 1.402451
H 3.323394 0.594981 0.652221
H 3.245274 -1.074236 1.282663
H 0.155861 1.747628 -1.399212
H 1.860228 2.020609 -0.926386
H 0.401338 -1.221871 -2.249960
H -1.600854 -1.720491 -3.600754
H -1.363034 -0.024909 2.205077
H -3.894775 -1.522564 -2.596164
H 3.881357 0.066900 -2.258916
H 5.598955 -0.383136 -2.127918
H 4.982148 1.048468 -1.225628
H 5.378511 -1.884880 1.183315
H 5.975003 -0.204360 0.931597
H 6.444368 -1.519128 -0.202521
H 0.860428 4.352003 -2.254752
H 2.331377 4.227959 -1.222484
H 1.109008 5.486466 -0.882691
H -1.339673 3.222036 0.637058
H -1.424642 3.740599 -1.080074
H -0.967858 4.912850 0.209845
H -5.328888 -1.045222 -0.688324
H 1.004482 -1.129176 3.568041
H -3.625718 0.111359 3.134703
H -5.643091 -0.384008 1.710335


