%chk=000035022.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035022

0 1
 O    5.041100       1.042600     -6.6799998E-02
 O    2.546900      -2.840700      0.2512000    
 O   -5.877900      0.6513000      0.4743000    
 O   -5.390300      -1.272600     -0.4636000    
 N   0.3887000       1.271400     -0.1078000    
 N    1.438900     -0.8174000      7.3299997E-02
 N    2.732500       1.196800     -9.1700003E-02
 N   -5.046100     -0.1563000     -5.5000000E-03
 N    3.835900     -0.9261000      9.2699997E-02
 C  -0.9752000      0.9133000     -8.2300000E-02
 C   -1.917900       1.794900      0.4461000    
 C   -1.381100     -0.3227000     -0.5855000    
 C   -3.673000      0.2045000     -3.1599998E-02
 C   -3.266800       1.440500      0.4716000    
 C   -2.730000     -0.6772000     -0.5601000    
 C    1.575000      0.5154000     -3.9000001E-02
 C    3.819700      0.4118000     -2.0800000E-02
 C    2.609800      -1.472000      0.1336000    
 C    5.020900       2.457800     -0.1845000    
 C    1.248800      -3.415400      0.2963000    
 H   -1.613900       2.760500      0.8422000    
 H  -0.6888000      -1.019100      -1.046200    
 H   0.5599000       2.271200     -5.4900002E-02
 H   -3.973100       2.152300      0.8911000    
 H   -3.011400      -1.644200     -0.9695000    
 H    6.057000       2.808900     -0.2080000    
 H    4.530000       2.918300      0.6796000    
 H    4.539600       2.768900      -1.117800    
 H   0.6834000      -3.048600       1.159600    
 H    1.363400      -4.497900      0.4062000    
 H   0.7041000      -3.228700     -0.6350000    


%chk=000035022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035022

0 1
O 5.028872 1.090471 -0.020071
O 2.744199 -2.892971 -0.079363
O -6.023435 1.024633 0.063118
O -5.579006 -1.215177 0.019239
N 0.364241 1.214768 0.021406
N 1.463630 -0.916496 -0.028439
N 2.675514 1.191217 0.001939
N -5.203894 0.023019 0.039064
N 3.902335 -0.911434 -0.049839
C -0.997422 0.854104 0.023718
C -1.945690 1.920682 0.049978
C -1.457657 -0.493951 0.002000
C -3.758200 0.310489 0.033584
C -3.321376 1.655222 0.055067
C -2.836434 -0.759881 0.007052
C 1.518665 0.446546 -0.001950
C 3.820804 0.449695 -0.022481
C 2.692126 -1.526715 -0.051213
C 5.015958 2.571187 0.009361
C 1.461086 -3.631371 -0.080810
H -1.596158 2.959994 0.066290
H -0.723758 -1.299927 -0.018335
H 0.577077 2.216775 0.038816
H -4.060673 2.459779 0.075088
H -3.213710 -1.785896 -0.009381
H 6.079749 2.845966 0.005105
H 4.514333 2.935064 0.921472
H 4.497851 2.970807 -0.878232
H 0.880677 -3.401869 0.828782
H 1.762181 -4.687865 -0.098530
H 0.868216 -3.375364 -0.975234


