%chk=000162656.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162656

0 1
 O   0.4684000      0.5099000       1.647700    
 O    3.967900      -1.095200       1.787300    
 O    3.885800      0.7986000      0.5215000    
 N    1.437800      1.9600000E-02 -0.3958000    
 N   0.2172000       2.848600     -0.3725000    
 C    2.342900      -1.012600      9.2500001E-02
 C    2.820700      -1.734000      -1.162200    
 C    2.755400     -0.6539000      -2.239200    
 C    1.529500      0.1569000      -1.847200    
 C   0.5155000      0.6503000      0.4246000    
 C  -0.4601000       1.562000     -0.2757000    
 C    3.468200     -0.3163000      0.7970000    
 C   -1.766400       1.680100      0.5097000    
 C   -2.688600      0.5040000      0.2877000    
 C   -3.611600      0.5513000     -0.7443000    
 C   -2.593700     -0.5987000       1.120700    
 C   -4.463300     -0.5343000     -0.9489000    
 C   -3.445300      -1.684300      0.9160000    
 C   -4.380100      -1.652000     -0.1188000    
 H    1.811100      -1.666300      0.7920000    
 H    2.121200      -2.540000      -1.415500    
 H    3.822200      -2.164700      -1.068400    
 H    3.653100     -2.6100000E-02  -2.193200    
 H    2.681900      -1.064800      -3.250000    
 H    1.611400       1.205700      -2.143300    
 H   0.6252000     -0.2766000      -2.288300    
 H  -0.6836000       1.206200      -1.285000    
 H   -2.304300       2.586600      0.1961000    
 H   -1.597500       1.819600       1.585800    
 H   0.3473000       3.244000      0.5586000    
 H  -0.3775000       3.509900     -0.8711000    
 H    4.707400     -0.6571000       2.260000    
 H   -3.682500       1.415900      -1.397900    
 H   -1.880000     -0.6348000       1.937500    
 H   -5.190800     -0.5095000      -1.755000    
 H   -3.382400      -2.553800       1.563900    
 H   -5.043500      -2.497100     -0.2777000    


%chk=000162656-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162656

0 1
O 0.428094 0.217656 1.512385
O 3.817656 -1.275763 1.881681
O 3.649687 0.830484 0.912339
N 1.351198 -0.145285 -0.570996
N 0.295057 2.738988 -0.599069
C 2.339418 -1.085418 -0.006500
C 3.092444 -1.607170 -1.267116
C 3.015266 -0.409033 -2.249873
C 1.601003 0.167763 -2.005741
C 0.447301 0.471255 0.261955
C -0.503510 1.509318 -0.382885
C 3.298007 -0.366312 0.952818
C -1.788668 1.699943 0.486248
C -2.772064 0.543215 0.370132
C -3.772460 0.551711 -0.638128
C -2.694343 -0.579151 1.236801
C -4.672661 -0.528607 -0.780409
C -3.594845 -1.659664 1.098583
C -4.586712 -1.640149 0.089823
H 1.846812 -1.889969 0.563145
H 2.547074 -2.479308 -1.670769
H 4.123083 -1.923226 -1.037706
H 3.776838 0.345907 -1.987244
H 3.168077 -0.710433 -3.299528
H 1.538780 1.259266 -2.155277
H 0.848028 -0.335403 -2.645374
H -0.816914 1.139160 -1.379521
H -2.270944 2.636910 0.144864
H -1.467721 1.838977 1.534497
H 0.797325 3.057912 0.236501
H -0.225284 3.497655 -1.051626
H 4.447616 -0.801111 2.488919
H -3.854004 1.418157 -1.307883
H -1.916234 -0.597057 2.008018
H -5.442636 -0.500919 -1.560375
H -3.524351 -2.515798 1.779669
H -5.286514 -2.477399 -0.013757


