%chk=000157732.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157732

0 1
 O    2.071400       2.719000       1.548400    
 N    2.627100       1.141900     -3.7599999E-02
 C  -0.3913000      0.4321000     -0.2356000    
 C  -7.5599998E-02  0.8850000      -1.696000    
 C    2.266000      0.1209000      -1.030500    
 C    1.380700      0.7104000      -2.124200    
 C   0.2872000     -0.9116000      7.0400000E-02
 C   0.2296000       1.478300      0.7343000    
 C    1.615400      -1.062300     -0.3646000    
 C   -1.941300      0.3603000     -0.1160000    
 C    1.723100       1.824200      0.7652000    
 C  -0.2943000      -1.947700      0.8156000    
 C    2.324700      -2.239700     -0.1019000    
 C    4.047600       1.469800      4.3000001E-02
 C   -2.654800     -0.5186000     -0.9239000    
 C   -2.600500       1.176000      0.7972000    
 C   0.4130000      -3.125600       1.068200    
 C    1.717400      -3.274400      0.6041000    
 C   -4.044100     -0.5826000     -0.8171000    
 C   -3.989800       1.111900      0.9041000    
 C   -4.711500      0.2326000      9.6900001E-02
 H  -0.3745000       1.933300      -1.835400    
 H  -0.6768000      0.3266000      -2.424800    
 H    3.192900     -0.2133000      -1.515700    
 H    1.400000      3.9000001E-02  -2.993600    
 H    1.784600       1.668700      -2.474200    
 H   6.9999998E-04   1.185800       1.770200    
 H  -0.2483000       2.452500      0.5537000    
 H   -1.297200      -1.860100       1.222500    
 H    3.354400      -2.349700     -0.4310000    
 H    4.373000       1.856400     -0.9274000    
 H    4.605700      0.5599000      0.2830000    
 H    4.254200       2.220900      0.8092000    
 H   -2.157900      -1.172700      -1.634600    
 H   -2.098600       1.872900       1.457200    
 H  -5.3199999E-02  -3.924100       1.638400    
 H    2.266600      -4.188400      0.8098000    
 H   -4.606100      -1.269400      -1.443300    
 H   -4.510300       1.744800       1.617000    
 H   -5.793100      0.1819000      0.1811000    


%chk=000157732-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157732

0 1
O 2.106519 2.789500 1.536178
N 2.652728 1.207719 -0.073057
C -0.367478 0.439892 -0.233053
C -0.044626 0.908664 -1.704408
C 2.308966 0.100371 -1.019319
C 1.406054 0.596056 -2.175407
C 0.282797 -0.930644 0.050960
C 0.249254 1.475189 0.761737
C 1.647774 -1.075673 -0.318497
C -1.907056 0.389339 -0.072634
C 1.742670 1.853794 0.749194
C -0.357341 -1.995088 0.727615
C 2.340448 -2.275116 -0.046536
C 4.072491 1.605234 -0.011755
C -2.656979 -0.483116 -0.910610
C -2.624926 1.170707 0.868115
C 0.341159 -3.191457 1.011536
C 1.691057 -3.338497 0.620226
C -4.061534 -0.563326 -0.824193
C -4.035544 1.095939 0.958337
C -4.762908 0.232378 0.112470
H -0.243972 1.995697 -1.749990
H -0.759659 0.435389 -2.397784
H 3.275468 -0.227787 -1.441993
H 1.386410 -0.198724 -2.944465
H 1.867164 1.487664 -2.638786
H 0.049404 1.156078 1.802939
H -0.265901 2.446300 0.632504
H -1.403338 -1.895233 1.033349
H 3.389836 -2.375794 -0.350586
H 4.427752 1.943456 -1.003775
H 4.701090 0.758609 0.324505
H 4.162399 2.431596 0.709740
H -2.132300 -1.122484 -1.630960
H -2.098741 1.847500 1.547080
H -0.169047 -4.006422 1.537209
H 2.230682 -4.267533 0.834547
H -4.608126 -1.246730 -1.483975
H -4.561668 1.715344 1.693657
H -5.854876 0.176108 0.181988


