%chk=000082979.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082979

0 1
 O    6.116500      -1.418700     -0.1527000    
 O    5.501000      -3.565400      0.4386000    
 O   -8.101600      -1.917500     -0.4609000    
 O   -8.315500     -5.2700002E-02  0.6774000    
 N    4.002500      0.4806000     -0.3233000    
 N   -1.489000     -0.4165000      0.3563000    
 N   -2.124700      0.1003000     -0.5910000    
 N    4.276200       4.006800      -1.376100    
 N   -7.614200     -0.8762000      4.1400000E-02
 N   -3.291300       2.930200       1.319400    
 C    4.689300     -2.8000001E-02  -1.493900    
 C    4.756200       1.211700      0.6757000    
 C    2.620700      0.2553000     -0.1520000    
 C    5.189600      -1.438200      -1.231100    
 C    4.196500       2.618600      0.8572000    
 C    1.788400      0.1473000      -1.266400    
 C    2.086400      0.1393000       1.131300    
 C   0.4220000     -7.6600000E-02  -1.097400    
 C   0.7200000     -8.4200002E-02   1.300400    
 C  -0.1122000     -0.1919000      0.1861000    
 C    4.241500       3.393500     -0.3917000    
 C    6.170000      -2.554700      0.6063000    
 C   -3.497900     -0.1242000     -0.4209000    
 C   -4.296900      0.7780000      0.2818000    
 C   -4.062800      -1.275200     -0.9707000    
 C    7.183900      -2.391000       1.697800    
 C   -6.225800     -0.6220000     -0.1143000    
 C   -5.660800      0.5291000      0.4350000    
 C   -5.426800      -1.524100     -0.8170000    
 C   -3.741400       1.966600      0.8549000    
 H    5.555100      0.6134000      -1.705700    
 H    4.100100     -6.8999999E-03  -2.412800    
 H    5.810400       1.292400      0.3783000    
 H    4.771100      0.6757000       1.631800    
 H    5.710600      -1.813200      -2.118800    
 H    4.337900      -2.098000      -1.026800    
 H    3.172500       2.611000       1.243000    
 H    4.798700       3.135400       1.614400    
 H    2.142600      0.2608000      -2.284600    
 H    2.700300      0.1965000       2.024600    
 H  -0.1887000     -0.1677000      -1.992300    
 H   0.3122000     -0.1771000       2.303600    
 H   -3.449400      -1.984000      -1.521200    
 H    8.173600      -2.231100       1.262900    
 H    7.212300      -3.299400       2.306300    
 H    6.904400      -1.551100       2.339000    
 H   -6.267500       1.244800      0.9865000    
 H   -5.832400      -2.430700      -1.258800    


%chk=000082979-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082979

0 1
O 5.997052 -1.237612 -0.666669
O 6.081401 -3.052916 -2.123118
O -8.538812 -0.808013 1.190644
O -8.658769 -0.910170 -1.088023
N 3.959916 0.702765 0.319517
N -1.657946 0.044214 0.706374
N -2.348919 -0.086882 -0.413415
N 6.026694 3.962969 0.580840
N -7.998583 -0.783944 0.015974
N -3.377580 -0.339440 -3.785378
C 4.672679 0.767496 -0.976595
C 4.787648 0.771220 1.537036
C 2.576539 0.541251 0.389862
C 4.998242 -0.605875 -1.575061
C 4.834200 2.195018 2.179749
C 1.780644 0.397460 -0.803741
C 1.890918 0.509795 1.652999
C 0.397792 0.237996 -0.738742
C 0.504274 0.343739 1.711115
C -0.273325 0.206164 0.525217
C 5.489934 3.182669 1.306780
C 6.469819 -2.502336 -1.072441
C -3.744085 -0.253250 -0.214985
C -4.522927 -0.395822 -1.413049
C -4.400055 -0.288829 1.050323
C 7.469752 -3.039917 -0.074573
C -6.533570 -0.600553 -0.066418
C -5.923885 -0.570264 -1.335260
C -5.787255 -0.461377 1.130540
C -3.875935 -0.361861 -2.698971
H 5.612437 1.324993 -0.826750
H 4.081436 1.349887 -1.705072
H 5.806459 0.445671 1.274584
H 4.412138 0.058812 2.292567
H 5.441578 -0.503974 -2.582683
H 4.113096 -1.261903 -1.645540
H 3.810129 2.543904 2.407355
H 5.387115 2.142226 3.137379
H 2.255003 0.404026 -1.788284
H 2.441700 0.614187 2.591151
H -0.198389 0.127296 -1.649812
H -0.016251 0.319043 2.674158
H -3.787026 -0.178188 1.948531
H 8.317727 -2.341495 0.031912
H 7.837271 -4.018771 -0.413426
H 7.000029 -3.145151 0.918836
H -6.534251 -0.680881 -2.234638
H -6.312457 -0.492374 2.088797


