%chk=000141119.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000141119

0 1
 O    3.642300       1.095800      1.2000001E-03
 O    3.641000      -1.099400     -1.0000000E-03
 N   -2.590400      3.3000000E-03   0.000000    
 N    3.033800     -1.5000000E-03   0.000000    
 C   -1.176100      1.9000000E-03 -5.0000002E-04
 C  -0.4777000       1.209300      1.3000000E-03
 C  -0.4797000      -1.206700     -2.0000001E-03
 C   0.9172000       1.208000      1.4000000E-03
 C   0.9152000      -1.207900     -1.7000000E-03
 C    1.613600     -6.0000003E-04   0.000000    
 C   -1.197400       2.519000      2.7000001E-03
 C   -1.201100      -2.515300     -2.2000000E-03
 C   -3.320800      6.0999999E-03  -1.249600    
 C   -3.320000     -1.2000000E-02   1.250100    
 H    1.444700       2.159100      3.4000000E-03
 H    1.441100      -2.159900     -3.4000000E-03
 H   -1.769100       2.641900      0.9279000    
 H  -0.5032000       3.364100     -6.3100003E-02
 H   -1.872100       2.595400     -0.8557000    
 H   -1.769100      -2.640600     -0.9293000    
 H  -0.5082000      -3.361200      6.8899997E-02
 H   -1.879100      -2.589100      0.8537000    
 H   -2.769500      0.5266000      -2.040400    
 H   -4.286100      0.5114000      -1.136100    
 H   -3.511600      -1.019000      -1.582000    
 H   -2.762400     -0.5275000       2.039800    
 H   -4.279500     -0.5279000       1.135900    
 H   -3.522100       1.010200       1.585000    


%chk=000141119-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000141119

0 1
O 3.719518 1.116898 -0.231586
O 3.718907 -1.120975 0.228779
N -2.603768 0.000336 0.000910
N 3.104478 -0.001780 -0.000963
C -1.187545 -0.000372 0.000333
C -0.463290 1.231416 -0.197091
C -0.464009 -1.232604 0.197413
C 0.943841 1.210886 -0.205463
C 0.943144 -1.212983 0.204911
C 1.636284 -0.001282 -0.000509
C -1.176221 2.569636 -0.291707
C -1.177709 -2.570390 0.292491
C -3.388504 0.616862 -1.077618
C -3.388437 -0.616977 1.078948
H 1.519587 2.132764 -0.328123
H 1.518381 -2.135215 0.327311
H -2.021136 2.615730 0.418889
H -0.480497 3.392237 -0.056252
H -1.586589 2.768093 -1.299665
H -2.021465 -2.616910 -0.419506
H -0.482000 -3.393575 0.059074
H -1.589939 -2.767545 1.299917
H -2.738038 0.861684 -1.931473
H -3.918587 1.538964 -0.758264
H -4.153032 -0.102727 -1.437000
H -2.738335 -0.860400 1.933501
H -3.917063 -1.539973 0.759704
H -4.154277 0.101704 1.437337


