%chk=000027393.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027393

0 1
 O   -1.945800      0.7334000      -1.520200    
 O    3.234000     -0.5531000       1.955100    
 N   -3.268800       1.660700      0.1458000    
 N    1.521400       1.319800      0.8531000    
 N    2.733900      0.9705000      0.2781000    
 C  -0.8972000       1.510300      0.5197000    
 C   0.4314000       1.061800     -7.9700001E-02
 C   -4.525500       1.517700     -0.5495000    
 C   -2.067400       1.248000     -0.4118000    
 C   -5.184700      0.2016000     -0.2535000    
 C   -4.910700     -0.9003000      -1.055300    
 C   -6.062100      9.7900003E-02  0.8196000    
 C    4.813300     -0.2850000      0.2425000    
 C    3.520100      2.1600001E-02  0.9076000    
 C   -5.522700      -2.123100     -0.7803000    
 C   -6.674200      -1.125100       1.094600    
 C   -6.404400      -2.235600      0.2946000    
 C    5.865000     -0.7394000       1.010300    
 C    4.919500     -0.1057000      -1.120800    
 C    7.078800      -1.027500      0.3861000    
 C    6.133200     -0.3938000      -1.744900    
 C    7.212800     -0.8547000     -0.9913000    
 H  -0.8713000       2.585100      0.7389000    
 H   -1.086100      0.9788000       1.460900    
 H   0.6022000       1.592800      -1.025200    
 H   0.3845000     -9.8000001E-03 -0.3118000    
 H   -4.364900       1.631200      -1.628400    
 H   -5.169100       2.348400     -0.2381000    
 H   -3.278200       2.061400       1.079500    
 H    1.568000       2.317100       1.060000    
 H   -4.229700     -0.8259000      -1.898200    
 H   -6.278000      0.9557000       1.450400    
 H    3.025300       1.492400     -0.5419000    
 H   -5.313600      -2.987500      -1.403700    
 H   -7.360400      -1.213000       1.931900    
 H   -6.881100      -3.187700      0.5086000    
 H    5.778600     -0.8744000       2.084200    
 H    4.094600      0.2189000      -1.746200    
 H    7.919800      -1.385600      0.9728000    
 H    6.236100     -0.2669000      -2.818600    
 H    8.157400      -1.080600      -1.477600    


%chk=000027393-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027393

0 1
O -2.100081 2.407127 -1.393939
O 3.264767 -0.051700 2.102034
N -3.209200 1.543279 0.463386
N 1.622399 1.820238 0.724607
N 2.803051 1.257151 0.206555
C -0.819365 2.112767 0.681835
C 0.408792 1.580502 -0.086455
C -4.517381 1.429700 -0.206114
C -2.084485 2.035412 -0.178601
C -5.112760 0.029153 -0.111853
C -4.339144 -1.110080 -0.453956
C -6.457490 -0.152811 0.294208
C 4.709144 -0.276361 0.157969
C 3.532882 0.295989 0.918490
C -4.901071 -2.403585 -0.392559
C -7.024184 -1.447164 0.353011
C -6.246889 -2.576618 0.010702
C 5.798455 -0.770601 0.919927
C 4.749393 -0.380867 -1.257921
C 6.921921 -1.332698 0.279180
C 5.872772 -0.949775 -1.898740
C 6.964727 -1.419252 -1.133012
H -0.655461 3.181521 0.931869
H -0.923593 1.564607 1.635403
H 0.433936 2.061730 -1.090602
H 0.317346 0.490101 -0.237067
H -4.331585 1.716966 -1.258686
H -5.225517 2.168669 0.217541
H -3.133139 1.228711 1.432441
H 1.752708 2.797687 1.019101
H -3.297932 -0.977287 -0.770968
H -7.064502 0.720538 0.564766
H 3.152743 1.565674 -0.710214
H -4.294109 -3.275628 -0.660977
H -8.065923 -1.573329 0.668679
H -6.682891 -3.580685 0.058465
H 5.734326 -0.712279 2.011477
H 3.894115 -0.063596 -1.867115
H 7.760739 -1.706393 0.876578
H 5.890882 -1.037050 -2.990714
H 7.835603 -1.859361 -1.631429


