%chk=000065694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065694

0 1
 O   0.1403000       2.762100      0.9480000    
 N   -1.752700      -1.901000     -0.2342000    
 N   0.7105000      0.8719000     -0.3118000    
 C   -2.198000      0.6201000     -0.2305000    
 C   -1.329100     -0.5647000     -0.7311000    
 C   -1.527500       1.968900     -0.6469000    
 C   -2.400600      0.5282000       1.298900    
 C   0.1193000     -0.3446000     -0.4524000    
 C  -3.0400001E-02   2.120900     -0.3125000    
 C   -3.584300      0.5687000     -0.9223000    
 C   -2.877600     -0.8585000       1.729200    
 C   -1.934800      -1.949500       1.223700    
 C    1.061600      -1.329200     -0.2828000    
 C  -0.8099000      -2.954100     -0.6983000    
 C   0.6733000      -2.767900     -0.2720000    
 C    2.069000      0.7040000     -0.1316000    
 C    2.312400     -0.6801000     -9.6900001E-02
 C   -4.435900       1.736000     -0.4899000    
 C    3.101300       1.641800      2.2800000E-02
 C    3.630600      -1.134200      0.1099000    
 C    4.399900       1.163700      0.2178000    
 C    4.662600     -0.2026000      0.2628000    
 H   -1.422500     -0.5951000      -1.827300    
 H   -2.054000       2.819800     -0.2019000    
 H   -1.619700       2.066100      -1.738000    
 H   -3.064100       1.299300       1.697500    
 H   -1.440900      0.7114000       1.800300    
 H   0.4418000       2.761200      -1.067500    
 H   -4.111300     -0.3680000     -0.7130000    
 H   -3.463000      0.6056000      -2.012600    
 H   -2.918700     -0.8999000       2.824300    
 H   -3.898100      -1.045000       1.377300    
 H  -0.9803000      -1.857500       1.756000    
 H   -2.358500      -2.922200       1.502000    
 H  -0.8546000      -2.976700      -1.795900    
 H   -1.161200      -3.942200     -0.3758000    
 H    1.321300      -3.343100     -0.9425000    
 H   0.8126000      -3.162000      0.7419000    
 H   -4.683500       1.736400      0.5732000    
 H   -4.030000       2.710300     -0.7696000    
 H   -5.399900       1.666300      -1.010200    
 H  -0.2737000       3.640000      0.8898000    
 H    2.905600       2.708800     -4.4999998E-03
 H    3.851300      -2.197400      0.1482000    
 H    5.216200       1.871100      0.3398000    
 H    5.680000     -0.5509000      0.4190000    


%chk=000065694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065694

0 1
O 0.105227 2.692032 1.051751
N -1.774429 -1.863124 -0.199025
N 0.728838 0.917089 -0.367440
C -2.198494 0.672250 -0.266878
C -1.352243 -0.542462 -0.765468
C -1.472253 1.955257 -0.785187
C -2.288254 0.627885 1.285897
C 0.117176 -0.342918 -0.498680
C -0.003634 2.163921 -0.336568
C -3.604820 0.582437 -0.943684
C -2.793404 -0.746160 1.782652
C -1.856007 -1.864817 1.287878
C 1.052357 -1.355997 -0.344922
C -0.883986 -2.936530 -0.732486
C 0.635155 -2.809081 -0.343925
C 2.101959 0.714519 -0.118530
C 2.332933 -0.710789 -0.105144
C -4.664827 1.593489 -0.456869
C 3.134995 1.647602 0.098367
C 3.650217 -1.188845 0.117819
C 4.435953 1.143412 0.311534
C 4.690699 -0.258884 0.319591
H -1.516524 -0.619577 -1.864003
H -2.042935 2.856513 -0.488219
H -1.479690 1.926604 -1.895074
H -2.945715 1.441137 1.647039
H -1.289681 0.825054 1.716728
H 0.484571 2.900693 -1.012647
H -3.985614 -0.446900 -0.808364
H -3.462912 0.710958 -2.037651
H -2.819078 -0.759483 2.889047
H -3.822135 -0.941572 1.425247
H -0.856262 -1.724173 1.766325
H -2.237485 -2.857006 1.596099
H -0.973609 -2.911794 -1.835746
H -1.274737 -3.912700 -0.389351
H 1.231934 -3.411108 -1.058103
H 0.815839 -3.251950 0.657455
H -4.929400 1.432070 0.603753
H -4.326173 2.641392 -0.564622
H -5.593636 1.486968 -1.047100
H -0.341608 3.577109 1.082365
H 2.934390 2.722976 0.128241
H 3.856233 -2.265197 0.133353
H 5.263195 1.841404 0.483319
H 5.712677 -0.615505 0.491630


