%chk=000114772.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114772

0 1
 O    1.867200      -2.391700     -0.1010000    
 O    1.853900       2.397800     -9.7900003E-02
 O    3.229900      6.8999999E-03 -0.3498000    
 N   -4.579300      1.1600000E-02 -0.3567000    
 C   -2.323100     -8.8999998E-03  0.6637000    
 C  -0.8559000     -4.8000002E-03  0.3960000    
 C   -3.146700     -1.0600000E-02 -0.6319000    
 C  -0.1731000       1.205100      0.2714000    
 C  -0.1664000      -1.210800      0.2703000    
 C    1.205800      -1.206800      1.9800000E-02
 C    1.199100       1.209100      2.1000000E-02
 C    1.888500      3.1000001E-03 -0.1050000    
 H   -2.584300     -0.8832000       1.274900    
 H   -2.586900      0.8646000       1.274800    
 H   -2.914600     -0.8993000      -1.229900    
 H   -2.892800      0.8607000      -1.246600    
 H  -0.7119000       2.144800      0.3678000    
 H  -0.6933000      -2.157200      0.3646000    
 H   -4.805900      0.8341000      0.2015000    
 H   -4.827500     -0.7923000      0.2191000    
 H    2.806000      -2.201800     -0.2724000    
 H    1.217300       3.123900      1.8300001E-02
 H    3.529300      0.9310000     -0.4044000    


%chk=000114772-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114772

0 1
O 1.923177 -2.401899 -0.125321
O 2.006234 2.394167 -0.139995
O 3.281272 -0.023305 -0.423238
N -4.660469 -0.034402 -0.399502
C -2.359411 -0.008045 0.745127
C -0.862718 0.006389 0.483474
C -3.200458 -0.010674 -0.579032
C -0.175119 1.241054 0.331997
C -0.152886 -1.210327 0.326024
C 1.224242 -1.198953 0.022693
C 1.201338 1.239891 0.029017
C 1.904550 0.029964 -0.126806
H -2.638936 -0.904426 1.332385
H -2.659068 0.876422 1.342053
H -2.907438 -0.887606 -1.186021
H -2.933678 0.882945 -1.174681
H -0.715454 2.188111 0.457587
H -0.655414 -2.175454 0.442814
H -5.049155 0.798170 0.053452
H -5.025573 -0.899034 0.010813
H 2.873602 -2.198678 -0.331868
H 1.481863 3.221636 -0.023064
H 3.634801 0.899355 -0.500305


