%chk=000153596.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153596

0 1
 O   -2.543000     -0.4581000      8.7800004E-02
 O   -4.009800      -2.210600      0.4001000    
 N   -1.532900      -1.380500      0.2533000    
 N    7.984500       1.104400     -0.2139000    
 C    2.526600     -0.3207000      5.4800000E-02
 C    3.924800      4.4799998E-02 -1.5300000E-02
 C    2.158500      -1.665100      0.1044000    
 C    1.546700      0.6719000      7.0699997E-02
 C  -0.1697000      -1.024600      0.1860000    
 C    4.837800     -0.8058000     -0.6384000    
 C    4.359900       1.247200      0.5422000    
 C   0.8103000      -2.017100      0.1700000    
 C   0.1985000      0.3199000      0.1364000    
 C    6.621200      0.7483000     -0.1467000    
 C    6.186200     -0.4540000     -0.7040000    
 C    5.708100       1.598900      0.4764000    
 C   -4.829400     -6.6000000E-03  1.0300000E-02
 C   -3.770700      -1.030600      0.1942000    
 C   -6.036300     -0.3857000     -0.5413000    
 C   -4.574300       1.293500      0.3963000    
 C   -7.031000      0.5768000     -0.7144000    
 C   -5.568900       2.256100      0.2233000    
 C   -6.797300       1.897600     -0.3321000    
 H    2.886900      -2.471100      0.1250000    
 H    1.784100       1.730000      3.0000000E-03
 H    4.540800      -1.737000      -1.112900    
 H    3.691400       1.926200       1.064200    
 H   0.5358000      -3.067900      0.2152000    
 H  -0.5466000       1.111100      0.1436000    
 H    6.887300      -1.121900      -1.198100    
 H    6.036500       2.535400      0.9202000    
 H   -1.781600      -2.362600      0.2130000    
 H   -6.228900      -1.410100     -0.8460000    
 H   -3.632400       1.596200      0.8439000    
 H    8.300700       1.975500      0.1908000    
 H    8.647100      0.4874000     -0.6647000    
 H   -7.987200      0.2980000      -1.147400    
 H   -5.388500       3.284000      0.5240000    
 H   -7.572000       2.647000     -0.4663000    


%chk=000153596-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153596

0 1
O -2.563644 -0.444091 0.641288
O -3.809227 -2.224769 -0.200712
N -1.555442 -1.481193 0.962321
N 8.034491 1.126890 -0.558993
C 2.514260 -0.334254 0.252964
C 3.937299 0.042815 0.042902
C 2.087417 -1.691076 0.183585
C 1.517353 0.644384 0.528077
C -0.231289 -1.058808 0.656950
C 4.792458 -0.716997 -0.804294
C 4.508229 1.180533 0.680056
C 0.740914 -2.053694 0.367753
C 0.169422 0.298450 0.738645
C 6.697765 0.773549 -0.362842
C 6.139105 -0.368044 -1.007760
C 5.852835 1.543784 0.488057
C -4.787950 0.025259 -0.133466
C -3.734480 -0.997871 0.069478
C -5.991691 -0.386023 -0.765185
C -4.625846 1.375518 0.276733
C -7.023967 0.547557 -0.986808
C -5.663534 2.303297 0.053243
C -6.862295 1.893190 -0.578664
H 2.823521 -2.481611 0.000719
H 1.796109 1.703849 0.551914
H 4.388322 -1.582187 -1.342690
H 3.897007 1.776844 1.367493
H 0.446227 -3.108554 0.306496
H -0.576232 1.070729 0.945371
H 6.763507 -0.971852 -1.678192
H 6.260096 2.420294 1.007460
H -1.881952 -2.364498 0.524417
H -6.095459 -1.432518 -1.069898
H -3.698586 1.683658 0.767722
H 8.429131 1.944738 -0.104547
H 8.637440 0.571297 -1.158127
H -7.951590 0.229571 -1.474356
H -5.540587 3.344154 0.370907
H -7.665939 2.617881 -0.750415


