%chk=000060932.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060932

0 1
 O    5.798400     -0.2501000      -1.066900    
 O    6.117500       1.873200      1.9700000E-02
 N   -1.222400     -0.6561000      0.1386000    
 C    1.159900     -0.7225000      0.7421000    
 C   6.3800000E-02 -3.3000000E-03 -5.3900000E-02
 C   -3.541300     -0.6745000      1.3100000E-02
 C   -2.308300      2.1800000E-02 -0.5706000    
 C   -1.634500     -0.6812000       1.541800    
 C   -3.150700     -0.8593000       1.490600    
 C    1.229500      -2.213400      0.3720000    
 C    2.495800     -2.3499999E-02  0.5587000    
 C    1.932300      -2.429400     -0.9630000    
 C    3.513100     -0.5819000     -0.2434000    
 C    3.372500      -1.929100     -0.8977000    
 C   -4.882600     -7.1000000E-03 -0.2020000    
 C    2.708200       1.224800       1.194100    
 C    4.698000      0.1334000     -0.3577000    
 C    4.887100       1.346100      0.2652000    
 C    3.910200       1.919200       1.048000    
 C   -5.101900      0.7692000      -1.340800    
 C   -5.901700     -0.1676000      0.7377000    
 C    6.689000      0.8566000     -0.8258000    
 C   -6.338000       1.384100      -1.539300    
 C   -7.137900      0.4474000      0.5390000    
 C   -7.355900       1.223200     -0.5995000    
 H   0.9373000     -0.6718000       1.816500    
 H   0.3146000      4.1999999E-03  -1.122200    
 H   7.7000000E-03   1.050800      0.2507000    
 H   -3.616800      -1.674300     -0.4413000    
 H   -2.231100     -0.1287000      -1.652800    
 H   -2.323300       1.100100     -0.3625000    
 H   -1.401100      0.2593000       2.057800    
 H   -1.176400      -1.505600       2.097600    
 H   -3.446600      -1.854700       1.842000    
 H   -3.610200     -0.1157000       2.152200    
 H   0.2443000      -2.689900      0.3537000    
 H    1.797400      -2.742900       1.150000    
 H    1.391400      -1.913700      -1.764700    
 H    1.930000      -3.495100      -1.219600    
 H    3.777000      -1.896300      -1.916300    
 H    3.975400      -2.646400     -0.3266000    
 H    1.924500       1.658500       1.811900    
 H    4.063500       2.873400       1.539000    
 H   -4.331200      0.9026000      -2.094100    
 H   -5.772400     -0.7840000       1.622400    
 H    6.955900       1.308700      -1.787900    
 H    7.600800      0.4764000     -0.3511000    
 H   -6.509200       1.986000      -2.427100    
 H   -7.932700      0.3177000       1.267700    
 H   -8.319100       1.700400     -0.7551000    


%chk=000060932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060932

0 1
O 5.820478 -0.224912 -1.283916
O 6.306458 1.762920 -0.036339
N -1.219033 -0.538227 0.443480
C 1.255327 -0.807126 0.891428
C 0.116891 0.042158 0.239257
C -3.564042 -0.629459 0.193489
C -2.298138 0.037378 -0.390431
C -1.715919 -0.537403 1.848493
C -3.268681 -0.614043 1.732613
C 1.250154 -2.265531 0.368826
C 2.603768 -0.115606 0.673039
C 1.840127 -2.363208 -1.055141
C 3.540399 -0.628639 -0.283033
C 3.316653 -1.912848 -1.066759
C -4.899783 -0.014779 -0.210602
C 2.908871 1.057631 1.411596
C 4.723054 0.106426 -0.433339
C 5.012645 1.272845 0.296945
C 4.121331 1.777908 1.245907
C -5.024602 0.821969 -1.350340
C -6.074454 -0.308358 0.533381
C 6.720553 0.954529 -1.211833
C -6.278938 1.349766 -1.733650
C -7.329769 0.214624 0.153539
C -7.438229 1.048042 -0.984061
H 1.057107 -0.829070 1.982994
H 0.299899 0.116061 -0.849840
H 0.180165 1.084750 0.646523
H -3.548637 -1.687111 -0.139828
H -2.127985 -0.203163 -1.455762
H -2.372096 1.151948 -0.292264
H -1.414809 0.398382 2.382597
H -1.288512 -1.388826 2.409682
H -3.676191 -1.507700 2.235275
H -3.737779 0.272361 2.195499
H 0.208861 -2.635515 0.378673
H 1.846980 -2.904341 1.050934
H 1.247847 -1.734288 -1.747849
H 1.765884 -3.401793 -1.428268
H 3.686693 -1.786592 -2.101864
H 3.945243 -2.710968 -0.619231
H 2.181200 1.419206 2.147651
H 4.348995 2.673114 1.829522
H -4.138620 1.065463 -1.947036
H -6.005860 -0.953324 1.417703
H 6.594582 1.561798 -2.129685
H 7.754733 0.608596 -1.063291
H -6.350152 1.995230 -2.616770
H -8.221772 -0.027003 0.743061
H -8.411094 1.455729 -1.280777


