%chk=000111537.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111537

0 1
 O    2.480500       1.038400     -0.6917000    
 O    4.436600     -0.3320000      0.7709000    
 O   -3.560300      -1.249600      0.2070000    
 N    1.125900      -1.416000     -0.4546000    
 N   -3.012400       1.036100      8.5299999E-02
 C   0.4398000     -0.1838000     -0.3806000    
 C    1.131100       1.021500     -0.5013000    
 C   -1.631000       1.030900     -0.1102000    
 C  -0.9413000     -0.1793000     -0.1852000    
 C   0.4414000       2.231600     -0.4264000    
 C  -0.9397000       2.236300     -0.2307000    
 C   0.4662000      -2.678500     -0.3374000    
 C    3.265700       1.701500      0.2968000    
 C   -3.873500     -6.3900001E-02  0.2283000    
 C    4.620300       1.025600      0.3882000    
 C    1.469200      -3.807000     -0.4808000    
 C   -5.313500      0.3869000      0.4235000    
 C   -6.281000     -0.7764000      0.5479000    
 C    5.675700      -1.022500      0.8510000    
 H   -1.449000      -1.125300     -9.4300002E-02
 H    2.130500      -1.377800     -0.5891000    
 H   0.9648000       3.178500     -0.5269000    
 H   -1.464500       3.186700     -0.1761000    
 H  -2.1500001E-02  -2.773500      0.6398000    
 H  -0.2927000      -2.796400      -1.119700    
 H   -3.440300       1.958700      0.1287000    
 H    3.387600       2.752000      1.2100000E-02
 H    2.770300       1.648000       1.274800    
 H    5.246300       1.539200       1.126000    
 H    5.114200       1.054300     -0.5901000    
 H   0.9698000      -4.776800     -0.3915000    
 H    2.241900      -3.747800      0.2935000    
 H    1.969100      -3.768300      -1.454700    
 H   -5.600300       1.011900     -0.4299000    
 H   -5.362600       1.004000       1.327800    
 H   -6.259300      -1.403400     -0.3496000    
 H   -7.302900     -0.4093000      0.6841000    
 H   -6.027600      -1.408600       1.405200    
 H    6.173100      -1.032800     -0.1237000    
 H    5.475300      -2.054700       1.150600    
 H    6.324700     -0.5607000       1.601300    


%chk=000111537-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111537

0 1
O 2.459314 1.427610 -0.602542
O 4.300986 -0.718409 0.223305
O -3.555325 -1.235219 0.551609
N 1.320855 -1.073262 0.003150
N -3.157425 1.029625 0.059718
C 0.490978 0.029923 -0.105025
C 1.053380 1.320647 -0.389154
C -1.735617 1.080963 -0.087539
C -0.922648 -0.068370 0.053514
C 0.234300 2.449097 -0.536478
C -1.166632 2.346577 -0.391662
C 0.821868 -2.417897 0.307840
C 3.289891 1.438272 0.626270
C -3.977640 -0.052216 0.368575
C 4.592117 0.719826 0.304539
C 1.982423 -3.425050 0.372581
C -5.468184 0.300854 0.503846
C -6.368274 -0.770112 -0.149526
C 5.421810 -1.495486 -0.304751
H -1.401847 -1.022770 0.272087
H 2.335082 -0.948791 -0.125160
H 0.705610 3.407660 -0.777950
H -1.801520 3.232549 -0.511782
H 0.276217 -2.416365 1.276084
H 0.088839 -2.740590 -0.462571
H -3.633412 1.924420 -0.075393
H 3.495740 2.488804 0.914065
H 2.764194 0.932262 1.458845
H 5.347575 0.909068 1.098495
H 4.987000 1.086966 -0.666654
H 1.603447 -4.430180 0.626743
H 2.719191 -3.124977 1.139828
H 2.502599 -3.490763 -0.601349
H -5.685525 1.302276 0.082785
H -5.694771 0.352935 1.587637
H -6.247470 -0.778664 -1.247470
H -7.432092 -0.583934 0.081902
H -6.090404 -1.767997 0.229256
H 5.688988 -1.169510 -1.331319
H 5.088267 -2.544806 -0.326646
H 6.314712 -1.407263 0.348599


