%chk=000045174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045174

0 1
 O   0.5271000       1.477600     -0.3127000    
 O    3.719200       1.204100      0.8124000    
 N    3.710300      0.8366000      -1.451100    
 C  -0.2742000     -0.7485000      5.8400001E-02
 C   0.7801000      0.1542000     -9.1100000E-02
 C   -1.650000     -0.3069000     -1.6300000E-02
 C    2.099300     -0.2925000     -1.3900000E-02
 C  -4.9999999E-03  -2.099500      0.2856000    
 C    2.366300      -1.642700      0.2130000    
 C    1.314100      -2.546000      0.3627000    
 C   -2.313800      0.1061000       1.138800    
 C   -2.312600     -0.2942000      -1.243600    
 C   -3.640200      0.5320000       1.066700    
 C   -3.638900      0.1317000      -1.315900    
 C    3.214800      0.6312000     -0.1679000    
 C   -4.302600      0.5448000     -0.1607000    
 C   0.4061000       2.312200      0.8357000    
 H  -0.8123000      -2.818500      0.4052000    
 H    3.389900      -2.003200      0.2754000    
 H    1.522100      -3.597300      0.5396000    
 H   -1.812900      0.1013000       2.104100    
 H   -1.809700     -0.6124000      -2.153900    
 H   -4.157100      0.8535000       1.966100    
 H   -4.154800      0.1420000      -2.271600    
 H   -5.335300      0.8764000     -0.2170000    
 H   0.3705000       1.743200       1.771400    
 H  -0.5103000       2.901600      0.7426000    
 H    1.259300       2.995800      0.8657000    
 H    3.315400      0.3716000      -2.262400    
 H    4.490000       1.464600      -1.615100    


%chk=000045174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045174

0 1
O 0.498407 1.493833 -0.711075
O 3.384178 1.872974 0.087353
N 4.186043 0.269014 -1.385233
C -0.282766 -0.667297 0.174817
C 0.780654 0.210091 -0.201091
C -1.721506 -0.264940 0.128232
C 2.134555 -0.221957 -0.156311
C 0.061854 -1.983070 0.591544
C 2.437703 -1.545384 0.249299
C 1.400410 -2.422157 0.630707
C -2.608104 -0.694260 1.155333
C -2.253031 0.506020 -0.943207
C -3.980801 -0.368154 1.114886
C -3.626738 0.827757 -0.984341
C 3.257745 0.740971 -0.468905
C -4.498084 0.394010 0.042154
C 0.335731 2.563491 0.304357
H -0.742744 -2.679078 0.852986
H 3.483035 -1.871031 0.295492
H 1.632703 -3.443586 0.949617
H -2.214140 -1.265189 2.004452
H -1.583459 0.849106 -1.736087
H -4.642728 -0.701792 1.922018
H -4.017671 1.416742 -1.821792
H -5.563198 0.649216 0.008473
H -0.453537 2.293225 1.031418
H 0.033023 3.456637 -0.263052
H 1.304794 2.732558 0.804665
H 4.028248 -0.589567 -1.909896
H 4.984225 0.860619 -1.616611


