%chk=000036396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036396

0 1
 O   0.2365000       2.444300      0.3509000    
 O    5.488000      -1.063300     -9.9299997E-02
 N   -3.264400      0.1477000     -0.3169000    
 C  -0.8673000      0.3031000      0.1698000    
 C   -2.109000       1.044600     -0.3205000    
 C   -3.529300     -0.3438000       1.042600    
 C   -4.442700      0.8251000     -0.8760000    
 C  -0.5912000     -0.9113000     -0.7155000    
 C   -4.704800      -1.322000       1.056200    
 C   -5.648200     -0.1152000     -0.9251000    
 C   -5.955500     -0.6948000      0.4508000    
 C   0.6320000      -1.670100     -0.2154000    
 C   0.3431000       1.230600      0.1978000    
 C    1.829200     -0.7670000     -0.1013000    
 C    1.693400      0.6148000      0.1010000    
 C    3.116100      -1.321900     -0.1561000    
 C    2.828600       1.427000      0.2174000    
 C    4.245300     -0.5116000     -3.7500001E-02
 C    4.101200      0.8612000      0.1459000    
 C    6.599000     -0.1775000      3.1399999E-02
 H  -0.9686000     -3.0000000E-03   1.217300    
 H   -1.926200       1.416300      -1.337800    
 H   -2.298800       1.926800      0.3056000    
 H   -3.732100      0.4883000       1.729700    
 H   -2.692000     -0.9144000       1.451700    
 H   -4.229300       1.158400      -1.898800    
 H   -4.696300       1.717400     -0.2883000    
 H  -0.4216000     -0.5895000      -1.752200    
 H   -1.436900      -1.607600     -0.7297000    
 H   -4.912800      -1.638200       2.084800    
 H   -4.439200      -2.224800      0.4913000    
 H   -5.448000     -0.9324000      -1.629600    
 H   -6.523800      0.4248000      -1.302800    
 H   -6.752600      -1.442400      0.3749000    
 H   -6.321400      0.1017000       1.110200    
 H   0.8447000      -2.490400     -0.9115000    
 H   0.4277000      -2.111200      0.7677000    
 H    3.239500      -2.393700     -0.2953000    
 H    2.741900       2.499700      0.3689000    
 H    4.934800       1.548100      0.2451000    
 H    6.634000      0.5478000     -0.7885000    
 H    7.507000     -0.7852000     -4.0800001E-02
 H    6.615100      0.3056000       1.014300    


%chk=000036396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036396

0 1
O 0.205734 2.401092 0.666271
O 5.599010 -1.035311 -0.284704
N -3.330828 0.132410 -0.128143
C -0.834799 0.230670 0.189459
C -2.127902 1.005182 -0.159386
C -3.803774 -0.131473 1.255294
C -4.432101 0.662091 -0.974211
C -0.521863 -0.893137 -0.826886
C -4.959685 -1.152776 1.265579
C -5.609773 -0.331580 -1.039891
C -6.127310 -0.665285 0.377994
C 0.724495 -1.689689 -0.394916
C 0.365540 1.177042 0.362760
C 1.923507 -0.778333 -0.176092
C 1.728473 0.593704 0.185784
C 3.234437 -1.268258 -0.321851
C 2.859861 1.424875 0.396404
C 4.353276 -0.426202 -0.106317
C 4.169175 0.935540 0.258353
C 6.799916 -0.214912 -0.090562
H -0.971125 -0.255410 1.183526
H -2.023858 1.409183 -1.185039
H -2.221553 1.882689 0.521000
H -4.145891 0.819450 1.745623
H -2.959518 -0.517753 1.855997
H -4.031833 0.843667 -1.989313
H -4.807183 1.646059 -0.583642
H -0.351604 -0.445293 -1.827112
H -1.408169 -1.547272 -0.905342
H -5.300197 -1.312413 2.306982
H -4.582903 -2.121091 0.882384
H -5.263816 -1.259856 -1.534949
H -6.419507 0.098870 -1.660424
H -6.925992 -1.429694 0.330354
H -6.575912 0.244410 0.828733
H 0.973823 -2.468190 -1.139587
H 0.498174 -2.224844 0.552308
H 3.417167 -2.309077 -0.609473
H 2.677565 2.468504 0.674480
H 5.021999 1.598820 0.428994
H 6.825906 0.632050 -0.802520
H 7.642639 -0.893021 -0.288059
H 6.861499 0.166565 0.946542


