%chk=000032082.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032082

0 1
 O    3.840800       2.422600     -0.2990000    
 O    4.322200      -2.342000     -0.2193000    
 O    5.449500      0.1751000     -0.4778000    
 O  -0.5852000      -1.494600      0.5148000    
 O   -2.774300      0.4738000       1.989600    
 N   -3.180500      0.4653000     -0.3247000    
 N   -5.118900      8.8000000E-02  -1.625800    
 C    1.367300     -0.2264000      0.1725000    
 C    2.174000      -1.360800      8.3200000E-02
 C    1.931600       1.042700      4.3800000E-02
 C    3.302700       1.177300     -0.1746000    
 C    3.545100      -1.226100     -0.1351000    
 C    4.109400      4.2900000E-02 -0.2639000    
 C  -6.1700001E-02 -0.3672000      0.4022000    
 C  -0.9521000      0.8796000      0.5032000    
 C   -2.409200      0.5936000      0.8230000    
 C   -4.561900      0.1671000     -0.4048000    
 C    4.292900       3.055600      0.8964000    
 C    4.886500      -2.831900      0.9955000    
 C    5.889200      0.1972000      -1.833900    
 C   -5.229200     -1.8400000E-02  0.7870000    
 C   -6.586800     -0.3110000      0.7193000    
 C   -7.211400     -0.4043000     -0.5196000    
 C   -6.440000     -0.1980000      -1.652000    
 H    1.751300      -2.357900      0.1808000    
 H    1.336300       1.948600      0.1048000    
 H  -0.8915000       1.434100     -0.4401000    
 H  -0.5756000       1.520000       1.309500    
 H   -2.728600      0.5861000      -1.227700    
 H    4.701700       4.034600      0.6320000    
 H    3.460200       3.200100       1.592100    
 H    5.081500       2.463800       1.371600    
 H    4.096400      -3.117300       1.697400    
 H    5.538300      -2.078700       1.449200    
 H    5.484400      -3.717300      0.7629000    
 H    6.977000      0.3074000      -1.839200    
 H    5.630200     -0.7392000      -2.338300    
 H    5.449400       1.045300      -2.367900    
 H   -4.818900      3.6800001E-02   1.780700    
 H   -7.158900     -0.4663000       1.629300    
 H   -8.268500     -0.6313000     -0.5964000    
 H   -6.879500     -0.2596000      -2.642100    


%chk=000032082-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032082

0 1
O 3.883180 2.583968 0.614199
O 4.059575 -2.153515 -0.844256
O 5.448759 0.302970 -0.198484
O -0.850456 -1.078409 -0.404748
O -3.229321 2.294554 0.758854
N -3.261790 0.070706 -0.005849
N -4.933364 -1.456563 -0.503616
C 1.204975 0.104940 -0.045385
C 1.951738 -1.044509 -0.417911
C 1.889924 1.286552 0.340759
C 3.299614 1.344850 0.314636
C 3.353804 -1.000637 -0.432891
C 4.047714 0.208187 -0.115331
C -0.286558 0.008955 -0.058395
C -1.089681 1.247594 0.350760
C -2.632915 1.237527 0.383062
C -4.650765 -0.188660 -0.070261
C 4.989097 2.606530 1.599547
C 4.926022 -2.757291 0.196953
C 6.012604 0.094002 -1.560534
C -5.654875 0.757450 0.275058
C -7.001395 0.354776 0.159634
C -7.313169 -0.951236 -0.286980
C -6.241767 -1.816672 -0.605310
H 1.430623 -1.966564 -0.690132
H 1.362408 2.193769 0.647959
H -0.804800 2.090491 -0.309644
H -0.769392 1.565336 1.362123
H -2.642902 -0.718008 -0.281879
H 5.274532 3.666216 1.676423
H 4.628793 2.242334 2.580676
H 5.837944 1.995570 1.253752
H 4.308100 -3.110182 1.043556
H 5.680888 -2.033913 0.554853
H 5.414240 -3.613123 -0.292535
H 7.103679 0.148492 -1.431416
H 5.712065 -0.890524 -1.957783
H 5.666656 0.901231 -2.230652
H -5.364685 1.752821 0.614439
H -7.799733 1.059003 0.417530
H -8.348370 -1.290995 -0.386419
H -6.425798 -2.838721 -0.955764


