%chk=000148739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148739

0 1
 O    4.048300     -1.7700000E-02  0.3673000    
 O   -2.262300     -0.7164000      -2.201900    
 O   -4.902900       2.272000      9.1899998E-02
 N   -2.201700     -0.7798000      0.1263000    
 N   -3.484200      0.8296000      -1.024500    
 C   -2.484700     -5.6100000E-02   1.358200    
 C   -1.270100      -1.893700      0.1995000    
 C   -3.894800      0.4965000       1.350300    
 C   0.1471000      -1.393600      0.2446000    
 C   -2.611800     -0.2648000      -1.109200    
 C   -4.135200       1.312200      0.1064000    
 C   0.7424000      -1.129000       1.471200    
 C   0.8438000      -1.203000     -0.9416000    
 C    2.765500     -0.4707000      0.3266000    
 C    2.057300     -0.6654000       1.512300    
 C    2.158900     -0.7397000     -0.9004000    
 C    4.322700       1.215900     -0.2952000    
 C    4.825400       2.229200      0.7217000    
 C    5.336300      0.9746000      -1.403500    
 H   -1.754700      0.7579000       1.437700    
 H   -2.361800     -0.7243000       2.217100    
 H   -1.406700      -2.539500     -0.6767000    
 H   -1.506800      -2.509300       1.075400    
 H   -4.057400       1.126400       2.230700    
 H   -4.630200     -0.3161000       1.363100    
 H   -3.705900       1.293700      -1.901000    
 H   0.2023000      -1.279500       2.401500    
 H   0.3870000      -1.415300      -1.903600    
 H    3.413400       1.634400     -0.7479000    
 H    2.524800     -0.4575000       2.470900    
 H    2.698600     -0.6043000      -1.833100    
 H    5.729600       1.865400       1.221900    
 H    4.075900       2.389300       1.504300    
 H    5.048400       3.191200      0.2503000    
 H    6.264000      0.5555000     -0.9981000    
 H    4.956400      0.2485000      -2.129200    
 H    5.574600       1.902000      -1.933100    


%chk=000148739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148739

0 1
O 3.908310 0.675661 0.818654
O -2.489322 -0.912167 -2.284028
O -5.516079 1.798210 -0.020255
N -2.354499 -0.884727 0.065251
N -3.892129 0.514893 -1.081722
C -2.645448 -0.117653 1.296888
C -1.226462 -1.853498 0.075971
C -4.131138 0.280662 1.349709
C 0.137258 -1.192029 0.240370
C -2.864599 -0.476318 -1.155093
C -4.585892 0.952754 0.056718
C 0.850647 -1.272846 1.463858
C 0.719611 -0.468848 -0.830034
C 2.672105 0.076699 0.542640
C 2.103512 -0.650088 1.619512
C 1.974073 0.163110 -0.691696
C 4.624087 1.420953 -0.257968
C 5.615295 2.324590 0.481806
C 5.310947 0.435235 -1.219759
H -1.999365 0.782659 1.350862
H -2.392732 -0.753849 2.163037
H -1.283816 -2.398753 -0.881476
H -1.407643 -2.570192 0.899160
H -4.327414 0.974171 2.183397
H -4.763784 -0.615148 1.503443
H -4.206493 0.868452 -1.991017
H 0.426141 -1.837052 2.304394
H 0.184389 -0.406063 -1.785129
H 3.885870 2.046963 -0.800893
H 2.659834 -0.709656 2.559939
H 2.391418 0.707778 -1.543385
H 6.314224 1.715326 1.081104
H 5.083775 3.012032 1.161440
H 6.199913 2.922229 -0.240531
H 6.062769 -0.161761 -0.673947
H 4.589584 -0.259955 -1.682507
H 5.824553 0.986826 -2.028512


