%chk=000040453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040453

0 1
 O   0.6952000     -0.8958000       1.295200    
 O    2.661000       2.372400      -1.371800    
 O   -2.580400       1.511400       2.098600    
 O   -1.008800     -0.6052000      -1.711600    
 N   -1.408600      0.6317000      0.2545000    
 N    2.067800      0.5334000     -6.9999998E-04
 C  -0.1166000       1.212900      0.4661000    
 C   0.3913000       1.996200     -0.7245000    
 C   0.9109000      0.1270000      0.6588000    
 C    1.859600       1.680300     -0.7585000    
 C   -2.489200      0.8445000       1.084700    
 C   -1.709200     -0.2024000     -0.8015000    
 C   -3.592000      8.1900001E-02  0.5008000    
 C   -3.120400     -0.5512000     -0.6397000    
 C    3.321300     -0.1552000      8.3899997E-02
 C   -4.898100     -5.3900000E-02  0.9242000    
 C   -3.930100      -1.353600      -1.417000    
 C    4.207900     -0.1310000     -0.9946000    
 C    3.660200     -0.8529000       1.245100    
 C   -5.737200     -0.8620000      0.1517000    
 C   -5.257900      -1.505700      -1.007500    
 C    5.428100     -0.8017000     -0.9124000    
 C    4.880600      -1.523300       1.327400    
 C    5.764600      -1.497800      0.2487000    
 H  -0.1199000       1.835400       1.369000    
 H  -4.9100000E-02   1.718700      -1.685800    
 H   0.2429000       3.070400     -0.5750000    
 H   -5.266700      0.4402000       1.815400    
 H   -3.561900      -1.848800      -2.307800    
 H    3.967200      0.3730000      -1.925600    
 H    3.011700     -0.8689000       2.115600    
 H   -6.774400     -0.9979000      0.4472000    
 H   -5.932400      -2.128600      -1.589300    
 H    6.113700     -0.7879000      -1.754600    
 H    5.146000      -2.059800       2.233800    
 H    6.714800      -2.019800      0.3128000    


%chk=000040453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040453

0 1
O 0.765569 -0.943861 1.280559
O 2.828685 2.383141 -1.345303
O -2.537410 1.580668 2.109449
O -0.971640 -0.518250 -1.800562
N -1.454044 0.680131 0.193197
N 2.128801 0.554893 0.016358
C -0.131050 1.232494 0.447955
C 0.456129 2.141515 -0.652939
C 0.930686 0.119411 0.647953
C 1.934564 1.764700 -0.729819
C -2.564585 0.869539 1.076947
C -1.774097 -0.188831 -0.892029
C -3.680731 0.068472 0.486125
C -3.208230 -0.564365 -0.691096
C 3.383906 -0.157374 0.092641
C -4.999720 -0.103697 0.931162
C -4.039695 -1.390185 -1.461659
C 4.222244 -0.231157 -1.045701
C 3.765929 -0.774494 1.308502
C -5.848816 -0.938148 0.158283
C -5.376147 -1.571353 -1.019250
C 5.449735 -0.921521 -0.958293
C 4.992112 -1.468575 1.379268
C 5.839510 -1.542982 0.250070
H -0.220586 1.780412 1.407008
H -0.001578 1.925660 -1.634120
H 0.347230 3.217711 -0.448922
H -5.352794 0.387892 1.842868
H -3.663972 -1.876653 -2.367076
H 3.926096 0.251306 -1.979629
H 3.109449 -0.726043 2.180723
H -6.884713 -1.098738 0.475062
H -6.054316 -2.211385 -1.593480
H 6.099189 -0.974894 -1.838556
H 5.284072 -1.949216 2.319071
H 6.792118 -2.080222 0.310833


