%chk=000046714.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046714

2 1
 N   -3.836100      0.2550000     -0.3178000    
 N   0.9693000      0.8747000      0.6977000    
 C   -3.579100      -1.235300     -0.6216000    
 C   -5.282900      0.3315000      0.2117000    
 C   -4.951500      -1.877800     -0.5820000    
 C   -5.658500      -1.106400      0.5106000    
 C   -2.856000      0.7572000      0.7313000    
 C   -3.690500       1.090800      -1.580100    
 C   -1.423200      0.6185000      0.2355000    
 C  -0.3858000       1.060200       1.263700    
 C    1.573600     -0.2936000      0.8949000    
 C    1.507000       1.886000      2.4400000E-02
 C    2.852600     -0.5052000      0.3766000    
 C    3.466600      0.5401000     -0.3470000    
 C    2.776200       1.746300     -0.5189000    
 C    3.533800      -1.719000      0.5572000    
 C    4.753300      0.3433000     -0.8745000    
 C    4.811400      -1.897500      2.6400000E-02
 C    5.419900     -0.8687000     -0.6880000    
 H   -2.961700      -1.655400      0.1801000    
 H   -3.073300      -1.343200      -1.585700    
 H   -5.917900      0.7459000     -0.5789000    
 H   -5.322000      0.9824000       1.090500    
 H   -4.900000      -2.949900     -0.3718000    
 H   -5.464300      -1.742500      -1.541600    
 H   -6.741100      -1.260600      0.4988000    
 H   -5.282100      -1.403400       1.496700    
 H   -3.018100      0.1696000       1.642900    
 H   -3.101900       1.804800      0.9415000    
 H   -2.730600      0.8854000      -2.058800    
 H   -4.487700      0.8029000      -2.273400    
 H   -3.787900       2.146900      -1.313200    
 H   -1.195800     -0.4103000     -6.1799999E-02
 H   -1.263500       1.235100     -0.6549000    
 H  -0.4582000      0.4742000       2.187200    
 H  -0.5079000       2.115500       1.534300    
 H    1.033800      -1.047300       1.457100    
 H   0.9275000       2.795000     -8.2500003E-02
 H    3.216000       2.572600      -1.070500    
 H    3.075100      -2.534400       1.112200    
 H    5.247700       1.133500      -1.435600    
 H    5.331700      -2.839900      0.1706000    
 H    6.414700      -1.009000      -1.100800    


%chk=000046714-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046714

2 1
N -3.963949 0.211092 -0.256514
N 1.071226 0.719485 0.615127
C -3.929293 -1.303214 -0.622418
C -5.338933 0.404833 0.503652
C -5.405699 -1.698461 -0.760948
C -6.078037 -0.950717 0.417278
C -2.802507 0.621130 0.666498
C -3.975549 1.053047 -1.532001
C -1.388886 0.434093 0.069933
C -0.329963 0.823994 1.138565
C 1.844829 -0.363845 0.917475
C 1.570470 1.754854 -0.183946
C 3.170620 -0.486333 0.436707
C 3.709742 0.577449 -0.400601
C 2.859513 1.696183 -0.686565
C 3.984726 -1.621103 0.765457
C 5.046118 0.470850 -0.883775
C 5.289936 -1.694943 0.275956
C 5.819904 -0.648485 -0.549276
H -3.460400 -1.830739 0.226325
H -3.322028 -1.442482 -1.529995
H -5.874693 1.218786 -0.008459
H -5.117698 0.719051 1.535421
H -5.530742 -2.790440 -0.687558
H -5.819513 -1.386721 -1.735940
H -7.157375 -0.803429 0.256065
H -5.957968 -1.520925 1.354328
H -2.918869 0.017492 1.584706
H -2.975484 1.680637 0.929555
H -3.061699 0.866850 -2.114708
H -4.850685 0.769999 -2.135291
H -4.047152 2.118555 -1.263231
H -1.226719 -0.615100 -0.237839
H -1.251607 1.071413 -0.821973
H -0.409122 0.170433 2.024170
H -0.481683 1.863908 1.478782
H 1.399332 -1.128910 1.559833
H 0.903097 2.600788 -0.356876
H 3.225819 2.525858 -1.297802
H 3.582878 -2.418863 1.399272
H 5.462869 1.265572 -1.510661
H 5.920756 -2.554102 0.522140
H 6.847021 -0.729539 -0.918367


