%chk=000136487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136487

0 1
 O   2.4000001E-03  -1.213500      -1.248600    
 O   -2.040300       1.463200     -5.4000001E-02
 O   -4.060000      0.4435000     -0.2244000    
 N    2.509300      -1.529500     -0.1876000    
 N  -0.7861000     -0.6400000      0.8555000    
 C    2.076800      0.8830000      0.2307000    
 C    1.605500     -0.5731000      0.4559000    
 C    3.446100       1.143200      0.8661000    
 C    2.100200       1.309800      -1.241300    
 C   0.2054000     -0.8454000     -9.2699997E-02
 C   -2.189400     -0.8416000      0.5778000    
 C   -2.869900      0.4004000      6.2700003E-02
 H    1.354400       1.538400      0.7366000    
 H    1.612300     -0.7862000       1.531900    
 H    4.239500      0.5750000      0.3697000    
 H    3.706100       2.205300      0.8000000    
 H    3.441000      0.8689000       1.926300    
 H    2.386700       2.364100      -1.327100    
 H    2.819000      0.7269000      -1.825700    
 H    1.114300       1.206200      -1.704300    
 H    2.477300      -1.421100      -1.200200    
 H    2.201200      -2.481000      9.3000000E-03
 H  -0.5309000     -0.3064000       1.780300    
 H   -2.665600      -1.136600       1.516900    
 H   -2.300000      -1.634400     -0.1678000    
 H   -2.505900       2.257600     -0.3919000    


%chk=000136487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000136487

0 1
O 0.119155 -1.977360 -0.860912
O -2.537642 1.500617 1.220693
O -4.337353 0.535874 0.105510
N 2.675740 -1.615553 0.004798
N -0.754468 -0.233641 0.378531
C 2.080502 0.838361 0.115283
C 1.699422 -0.640779 0.502161
C 3.436293 1.202997 0.757473
C 2.124375 1.020391 -1.416626
C 0.298411 -1.013590 -0.049500
C -2.110349 -0.480846 -0.111072
C -3.123263 0.533563 0.385179
H 1.303743 1.514943 0.536852
H 1.639024 -0.673156 1.613377
H 4.217303 0.520732 0.376592
H 3.726251 2.239931 0.506496
H 3.404610 1.115600 1.861293
H 2.445667 2.044724 -1.680061
H 2.845727 0.304069 -1.848825
H 1.137896 0.839904 -1.883301
H 2.258144 -2.265814 -0.672401
H 3.239562 -2.075522 0.720017
H -0.611678 0.561247 1.004152
H -2.464353 -1.488601 0.183481
H -2.134770 -0.480149 -1.218546
H -3.228551 2.148757 1.523458


