%chk=000068916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068916

0 1
 O    1.661600      -2.339600      0.6877000    
 O    1.964300       2.349900     -0.3159000    
 N    3.129500     -0.1896000     -0.3270000    
 N   -4.769300     -0.9004000     -0.5125000    
 N   -4.575000       1.456700     -0.9744000    
 N   -3.391500      -1.913500       1.130500    
 N   -6.120900      0.1251000      -2.133300    
 C    1.849700     -1.9999999E-04  0.1719000    
 C  -0.7243000      0.3812000       1.177600    
 C   -2.100900      0.5849000       1.713900    
 C    1.130200      -1.083800      0.6758000    
 C    1.282300       1.273900      0.1707000    
 C  -0.1569000     -0.8930000       1.178600    
 C  -4.8000002E-03   1.464600      0.6735000    
 C   -3.194100      0.4337000      0.6752000    
 C    4.017800      -1.149500      9.7900003E-02
 C    3.713500      0.5502000      -1.328100    
 C   -3.796000     -0.7617000      0.4116000    
 C    5.174700      -1.017800     -0.6378000    
 C    4.982100      5.7500001E-02  -1.540200    
 C   0.9622000      -3.344700     -4.2399999E-02
 C    2.212000       3.422300      0.5900000    
 C   -3.607800       1.523100     -3.6100000E-02
 C    1.957200      -4.363700     -0.5556000    
 C    3.509400       4.101700      0.2071000    
 C   -5.104900      0.2325000      -1.158700    
 H   -2.277700     -7.7500001E-02   2.570800    
 H   -2.173400       1.588000       2.159300    
 H  -0.6899000      -1.733200       1.611000    
 H  -0.4519000       2.455600      0.6651000    
 H    3.833100      -1.811700      0.9315000    
 H    3.197000       1.316800      -1.887800    
 H    6.065100      -1.620100     -0.5247000    
 H    5.684800      0.4226000      -2.275900    
 H   0.2420000      -3.831200      0.6242000    
 H   0.4202000      -2.910900     -0.8921000    
 H    1.385200       4.138100      0.5272000    
 H    2.287200       3.058300       1.622400    
 H   -3.182500       2.509900      0.1111000    
 H    1.450400      -5.164000      -1.102100    
 H    2.686200      -3.889500      -1.221000    
 H    2.521500      -4.803600      0.2732000    
 H    4.344900       3.395900      0.2617000    
 H    3.465700       4.463900     -0.8253000    
 H    3.718700       4.946300      0.8694000    
 H   -3.467000      -1.843900       2.140100    
 H   -2.515000      -2.317400      0.8207000    
 H   -6.548800     -0.7737000      -2.308100    
 H   -6.407100      0.9478000      -2.645600    


%chk=000068916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068916

0 1
O 2.158985 -2.759529 0.577809
O 1.888662 1.935228 -0.312547
N 3.343408 -0.422831 -0.327198
N -4.378166 0.847639 -1.277083
N -4.817955 2.238577 0.693704
N -2.788132 -0.858602 -1.257556
N -5.991016 2.543789 -1.313855
C 1.993369 -0.411436 0.143988
C -0.710489 -0.384222 1.082042
C -2.146965 -0.366626 1.618157
C 1.369436 -1.604397 0.613849
C 1.228267 0.794619 0.153603
C 0.028705 -1.588216 1.077241
C -0.110802 0.803661 0.611804
C -3.135383 0.446496 0.802866
C 4.446094 -0.972014 0.352487
C 3.790397 0.113590 -1.548665
C -3.431912 0.153181 -0.574679
C 5.581786 -0.780198 -0.435072
C 5.166348 -0.099210 -1.639461
C 1.545931 -4.040778 0.984979
C 1.176820 3.230943 -0.246826
C -3.871092 1.511026 1.358195
C 2.616525 -5.113045 0.803290
C 2.148354 4.287952 -0.763707
C -5.030888 1.850880 -0.609779
H -2.500868 -1.414611 1.710998
H -2.136501 0.041838 2.649112
H -0.440447 -2.504483 1.448493
H -0.699011 1.724990 0.607082
H 4.318728 -1.459470 1.314701
H 3.099172 0.612428 -2.221741
H 6.592439 -1.093226 -0.176307
H 5.800420 0.201355 -2.472505
H 1.216631 -3.973942 2.042370
H 0.659577 -4.242844 0.348806
H 0.262127 3.181552 -0.871913
H 0.880042 3.431778 0.802598
H -3.702295 1.801786 2.403705
H 2.212022 -6.102729 1.083503
H 2.951436 -5.152704 -0.246776
H 3.494194 -4.900265 1.436819
H 3.061106 4.312619 -0.145022
H 2.442865 4.073260 -1.805005
H 1.672173 5.284834 -0.731650
H -1.950085 -1.296489 -0.879261
H -3.034034 -0.994329 -2.236612
H -6.183918 2.288382 -2.277743
H -6.497259 3.290091 -0.846137


