%chk=000138668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138668

0 1
 O   0.3701000       2.415000     -0.5977000    
 O    4.544500      0.9651000     -0.3138000    
 N  -0.2468000      0.2081000     -8.0700003E-02
 N    1.845300       1.158700      0.6433000    
 C   0.2303000      -1.101100     -9.8999999E-03
 C   -1.690100      0.4447000     -7.5199999E-02
 C   0.6548000       1.338700     -6.3000001E-02
 C    2.821700       2.212200      0.7975000    
 C  -0.5064000      -2.076300      0.6625000    
 C   -2.488600     -0.5196000     -0.6129000    
 C    1.443300      -1.435200     -0.6121000    
 C   -2.135500       1.612400      0.4676000    
 C    3.838800       2.199200     -0.3291000    
 C  -2.9899999E-02  -3.385400      0.7331000    
 C   -3.865200     -0.2943000     -0.6075000    
 C    1.919700      -2.744300     -0.5417000    
 C   -3.512100       1.837500      0.4731000    
 C    1.183000      -3.719300      0.1310000    
 C   -4.376900      0.8841000     -6.4499997E-02
 H    3.318200       2.035400       1.757500    
 H    2.312800       3.180500      0.8407000    
 H    1.998400      0.3008000       1.162200    
 H   -1.411900      -1.857300       1.221600    
 H   -2.134900      -1.408900      -1.122400    
 H    2.023200     -0.7124000      -1.179900    
 H   -1.498700       2.353900      0.9356000    
 H    4.559400       3.012400     -0.1994000    
 H    3.351600       2.306700      -1.303600    
 H  -0.5935000      -4.140900       1.272800    
 H   -4.537900      -1.027500      -1.043100    
 H    2.860100      -3.006700      -1.017700    
 H   -3.912000       2.750500      0.9047000    
 H    1.555200      -4.738000      0.1879000    
 H   -5.448600       1.060400     -6.1999999E-02
 H    5.185100      0.9939000      -1.044700    


%chk=000138668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138668

0 1
O 0.190624 2.698743 0.241882
O 4.628402 0.634806 0.127464
N -0.309271 0.381581 0.128106
N 1.892449 1.150184 0.587506
C 0.224083 -0.967020 0.065406
C -1.736590 0.545443 -0.014824
C 0.574404 1.490315 0.310500
C 2.916321 2.178888 0.783283
C -0.032089 -1.874575 1.122697
C -2.473689 -0.450695 -0.712836
C 0.982895 -1.384646 -1.056232
C -2.431777 1.652637 0.544266
C 4.093138 1.978906 -0.173619
C 0.472486 -3.191842 1.058623
C -3.874125 -0.343730 -0.844483
C 1.494835 -2.700774 -1.111121
C -3.831673 1.749671 0.397469
C 1.239824 -3.607385 -0.055845
C -4.566039 0.757493 -0.291985
H 3.295363 2.148180 1.823703
H 2.438856 3.159116 0.614816
H 2.201134 0.177165 0.618493
H -0.628326 -1.540510 1.978137
H -1.953740 -1.306531 -1.153722
H 1.159599 -0.679065 -1.875062
H -1.876399 2.436130 1.060299
H 4.859693 2.761054 0.007734
H 3.743960 2.039413 -1.224945
H 0.272508 -3.890319 1.878512
H -4.421571 -1.122963 -1.387030
H 2.082271 -3.019545 -1.979133
H -4.350902 2.611775 0.831701
H 1.633054 -4.628796 -0.101501
H -5.652993 0.841870 -0.397928
H 5.369785 0.418027 -0.490133


