%chk=000073006.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073006

0 1
 O    2.031100       1.201400      -2.573100    
 O    4.073400       1.825500      -1.827000    
 O   0.5166000       2.033300       1.796500    
 O    4.776100      -1.708800       1.760700    
 N    1.000900      0.9067000     -0.1563000    
 N   -1.523000      8.3600000E-02 -0.2952000    
 N   -3.441900      0.7821000       1.589000    
 N    4.341900      -3.316300      0.1716000    
 C    2.398700       1.257200     -0.1798000    
 C    3.244300      0.2397000      0.5958000    
 C    3.327000      -1.135600     -7.2200000E-02
 C    2.931900       1.444100      -1.591200    
 C   0.1451000       1.332400      0.8558000    
 C    4.224700      -2.059900      0.7206000    
 C   -1.243900      0.8631000      0.7541000    
 C   -2.787900     -0.3582000     -0.4083000    
 C   -3.759600     -4.6999999E-03  0.5459000    
 C   -2.171300       1.213600       1.684100    
 C   -3.152600      -1.174800      -1.476100    
 C   -5.060000     -0.4808000      0.3968000    
 C   -4.456900      -1.645900      -1.616100    
 C   -5.414700      -1.297500     -0.6755000    
 H    2.495400       2.236400      0.3062000    
 H    2.846300      0.1300000       1.613100    
 H    4.260900      0.6413000      0.7043000    
 H    2.332600      -1.591100     -0.1384000    
 H    3.737000      -1.058100      -1.085100    
 H   0.6386000      0.3119000     -0.8963000    
 H   -1.958300       1.844200       2.538000    
 H   -2.411000      -1.455900      -2.221400    
 H   -5.821600     -0.2151000       1.127300    
 H    2.410600       1.353700      -3.464800    
 H    4.913200      -4.028700      0.6136000    
 H    3.869100      -3.577900     -0.6877000    
 H   -4.720100      -2.281500      -2.456100    
 H   -6.434300      -1.657800     -0.7726000    


%chk=000073006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073006

0 1
O 2.020528 0.930968 -2.645976
O 4.037771 1.891882 -2.011051
O 0.633178 1.856783 1.867456
O 3.932148 -2.043476 2.171023
N 1.012997 0.866612 -0.217920
N -1.571676 0.077216 -0.387104
N -3.428377 0.640271 1.741308
N 4.782853 -3.143711 0.316729
C 2.422124 1.258948 -0.262782
C 3.355784 0.281957 0.521819
C 3.370622 -1.148125 -0.054221
C 2.927611 1.421064 -1.691265
C 0.221152 1.206724 0.853891
C 4.049063 -2.129619 0.914076
C -1.211061 0.744707 0.730025
C -2.892786 -0.334357 -0.475624
C -3.827573 -0.050650 0.598897
C -2.140112 1.025595 1.792439
C -3.339978 -1.044201 -1.632363
C -5.181905 -0.487968 0.483704
C -4.671151 -1.459837 -1.718447
C -5.594432 -1.181592 -0.657678
H 2.516670 2.243869 0.236168
H 3.007091 0.245555 1.568005
H 4.375489 0.707780 0.523639
H 2.326198 -1.494718 -0.191638
H 3.861433 -1.177584 -1.046351
H 0.565692 0.398156 -1.014220
H -1.793088 1.569780 2.675174
H -2.617113 -1.244961 -2.429191
H -5.865640 -0.262027 1.307550
H 2.397585 1.055978 -3.558406
H 5.224823 -3.841224 0.915770
H 4.903165 -3.205700 -0.692426
H -5.018006 -2.004433 -2.603119
H -6.632778 -1.518062 -0.747689


