%chk=000133594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133594

0 1
 O   -2.000600     -9.3300000E-02 -0.9036000    
 O   0.1994000      0.3351000      -2.226200    
 O  -0.7289000      -1.697300      0.1446000    
 N   -5.792000     -0.8879000      0.6818000    
 N    5.383200      -2.038400      0.4814000    
 N    6.291300      -1.188400      0.6103000    
 N    7.124600     -0.4177000      0.7293000    
 C   -3.175700     -0.8416000     -0.6191000    
 C   -4.383200     -0.1078000      -1.193800    
 C   -3.331700      -1.014900      0.8892000    
 C   -5.691400     -0.7810000     -0.7808000    
 C   -4.672100      -1.660700       1.238100    
 C   -7.069000      -1.490000       1.064200    
 C   0.3595000      0.2840000     -0.7938000    
 C  -0.8181000     -0.6363000     -0.4619000    
 C    1.713100     -0.3414000     -0.4495000    
 C   0.2394000       1.688400     -0.1972000    
 C    2.040200     -0.5177000      0.8751000    
 C    2.550600     -0.7042000      -1.478900    
 C   0.6608000       2.761200     -0.9485000    
 C  -0.2848000       1.823900       1.067600    
 C    3.273800      -1.088600       1.188000    
 C    3.784200      -1.275300      -1.166100    
 C   0.5516000       4.041000     -0.4045000    
 C  -0.3941000       3.103800       1.611400    
 C    4.145900      -1.467300      0.1674000    
 C   2.4100000E-02   4.212400      0.8754000    
 H   -3.096700      -1.823000      -1.105600    
 H   -4.307100     -6.9300003E-02  -2.287300    
 H   -4.376000      0.9384000     -0.8593000    
 H   -3.250600     -3.6100000E-02   1.381500    
 H   -2.556900      -1.634800       1.343700    
 H   -6.522400     -0.1782000      -1.166800    
 H   -5.760700      -1.770800      -1.250800    
 H   -4.690100      -2.695600      0.8712000    
 H   -4.758700      -1.700600       2.330800    
 H   -7.905200     -0.8870000      0.6932000    
 H   -7.167300      -1.523800       2.154900    
 H   -7.179300      -2.509100      0.6761000    
 H    1.374700     -0.2552000       1.688700    
 H    2.307200     -0.5698000      -2.527000    
 H  -0.5653000      0.9003000      -2.432800    
 H    1.086900       2.648700      -1.940200    
 H  -0.6221000      0.9778000       1.657200    
 H    3.544000      -1.239400       2.230000    
 H    4.456900      -1.567500      -1.968400    
 H   0.8802000       4.904100     -0.9761000    
 H  -0.8060000       3.237300       2.607500    
 H  -6.0600001E-02   5.208800       1.299000    


%chk=000133594-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133594

0 1
O -1.961437 -0.231428 -0.733370
O -0.054507 0.938493 -2.006868
O -0.648566 -0.983672 1.041459
N -6.040928 -1.156471 0.058230
N 5.463679 -1.975435 -0.756648
N 6.157371 -2.249521 0.264598
N 6.948768 -2.587539 1.083589
C -3.151152 -1.006102 -0.224541
C -4.048281 -1.289322 -1.432651
C -3.886886 -0.181029 0.841876
C -5.342965 -1.983931 -0.953028
C -5.187451 -0.910743 1.244610
C -7.362430 -1.706018 0.419090
C 0.285314 0.651516 -0.612113
C -0.784801 -0.296239 0.007386
C 1.665340 -0.037610 -0.614674
C 0.306502 1.972287 0.211616
C 2.353987 -0.293454 0.596570
C 2.256440 -0.431886 -1.839122
C 0.641815 3.168277 -0.471062
C 0.045538 2.019147 1.603831
C 3.607074 -0.934053 0.591895
C 3.512993 -1.067497 -1.858309
C 0.716326 4.391964 0.227805
C 0.116669 3.247771 2.299833
C 4.190743 -1.322118 -0.642770
C 0.453518 4.437637 1.617057
H -2.759537 -1.942580 0.217748
H -3.521559 -1.928986 -2.163895
H -4.311269 -0.336006 -1.925926
H -4.141099 0.809385 0.422817
H -3.244739 -0.037847 1.729016
H -6.019804 -2.134523 -1.813561
H -5.090400 -3.000997 -0.548100
H -4.928422 -1.869198 1.769408
H -5.751897 -0.288087 1.962308
H -7.987770 -1.796531 -0.487023
H -7.872542 -1.018729 1.117281
H -7.308472 -2.713895 0.903620
H 1.913773 0.004808 1.551767
H 1.722501 -0.225660 -2.769049
H -1.045557 0.951952 -2.074733
H 0.833419 3.122765 -1.547191
H -0.216727 1.106094 2.149819
H 4.126224 -1.128401 1.537624
H 3.979174 -1.371337 -2.800329
H 0.979381 5.309366 -0.310868
H -0.091660 3.272207 3.375465
H 0.509309 5.388376 2.158914


