%chk=000108654.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108654

0 1
 O    2.520000      0.1648000      0.6759000    
 O    2.167000      -1.562200     -0.8247000    
 N   -2.388200      0.3766000      0.4267000    
 C   -1.470300       1.426200     -4.2800002E-02
 C   -2.038600      -1.020000      0.1064000    
 C  -1.5100000E-02   1.101300      0.3701000    
 C   0.3606000     -0.3145000      6.8400003E-02
 C  -0.5556000      -1.282000     -6.4700000E-02
 C   -1.901300       2.733200      0.6495000    
 C   -1.574100       1.643200      -1.564400    
 C   -2.530800      -1.852300       1.306600    
 C   -2.800000      -1.494300      -1.145000    
 C    1.771800     -0.6634000     -9.7199999E-02
 C    3.933700     -5.3100001E-02  0.6210000    
 C    4.520900      0.7965000     -0.4857000    
 H   0.1191000       1.265700       1.447900    
 H   0.6637000       1.793400     -0.1452000    
 H   -3.344800      0.5830000      0.1415000    
 H  -0.2555000      -2.304400     -0.2836000    
 H   -1.237200       3.561300      0.3759000    
 H   -1.873600       2.637100       1.741500    
 H   -2.921600       3.019500      0.3675000    
 H   -2.614700       1.790900      -1.875700    
 H   -1.165400      0.8055000      -2.136700    
 H   -1.013900       2.535600      -1.868600    
 H   -3.609700      -1.731400       1.464200    
 H   -2.342400      -2.922400       1.156200    
 H   -2.025200      -1.558500       2.235200    
 H   -2.484300     -0.9697000      -2.051300    
 H   -2.639800      -2.565000      -1.322300    
 H   -3.881000      -1.344900      -1.036000    
 H    4.346900      0.2564000       1.586400    
 H    4.177700      -1.113300      0.4885000    
 H    5.609500      0.6957000     -0.5166000    
 H    4.115800      0.5064000      -1.460500    
 H    4.268700       1.851800     -0.3379000    


%chk=000108654-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108654

0 1
O 2.582451 0.486410 0.548097
O 2.244201 -1.745962 -0.051080
N -2.416864 0.349836 0.445925
C -1.529054 1.482977 0.059702
C -2.084825 -1.045702 0.057994
C -0.106715 1.169323 0.601662
C 0.324559 -0.245437 0.261491
C -0.584254 -1.230099 0.004349
C -2.083074 2.744643 0.761351
C -1.458767 1.747962 -1.478453
C -2.646172 -1.991812 1.165944
C -2.709463 -1.477435 -1.312812
C 1.769768 -0.612187 0.220878
C 4.056159 0.243867 0.533168
C 4.624836 0.454015 -0.873465
H -0.102797 1.298088 1.701939
H 0.620550 1.894755 0.197256
H -3.412822 0.564225 0.308425
H -0.219948 -2.237812 -0.235404
H -1.412903 3.608429 0.600073
H -2.178600 2.565723 1.846564
H -3.081432 3.014385 0.364546
H -2.475688 1.862576 -1.899216
H -0.953040 0.922380 -2.009292
H -0.896209 2.677392 -1.688474
H -3.743668 -1.870251 1.239091
H -2.431229 -3.052415 0.938736
H -2.203459 -1.732827 2.141731
H -2.359303 -0.833996 -2.136515
H -2.451516 -2.525064 -1.556453
H -3.812680 -1.405656 -1.256919
H 4.449290 0.979995 1.253073
H 4.247217 -0.782899 0.891511
H 5.725993 0.352655 -0.851360
H 4.223405 -0.298897 -1.572250
H 4.378352 1.461515 -1.251312


