%chk=000027694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027694

0 1
 O    2.951700      -1.210700      0.2292000    
 O    2.705700       1.504800     -0.2980000    
 N   -3.272900      0.2049000     -0.4009000    
 C   -1.921100      -1.705600      0.3429000    
 C   -3.196300     -0.8888000      0.5753000    
 C   -2.183500       1.170100     -0.1705000    
 C  -0.6931000     -0.8448000      0.1989000    
 C  -0.8190000      0.5245000     -9.1499999E-02
 C   0.5812000      -1.418900      0.2946000    
 C   0.3339000       1.306600     -0.2448000    
 C   -4.570800      0.8750000     -0.3290000    
 C    1.721800     -0.6339000      0.1288000    
 C    1.598300      0.7278000     -0.1381000    
 C    3.523400      -1.730800     -0.9695000    
 C    3.240500       2.119600      0.8726000    
 H   -2.029500      -2.299800     -0.5734000    
 H   -1.790800      -2.402000       1.179800    
 H   -4.055700      -1.562300      0.4692000    
 H   -3.215400     -0.4979000       1.601800    
 H   -2.346500       1.725600      0.7630000    
 H   -2.178900       1.891100     -0.9977000    
 H   0.6830000      -2.482100      0.4992000    
 H   0.2439000       2.371100     -0.4490000    
 H   -5.379100      0.1710000     -0.5554000    
 H   -4.632600       1.674400      -1.075700    
 H   -4.759300       1.309800      0.6593000    
 H    4.504000      -2.149800     -0.7276000    
 H    3.655600     -0.9358000      -1.710100    
 H    2.894200      -2.526700      -1.380400    
 H    3.543600       1.361800       1.601900    
 H    2.506600       2.798400       1.318500    
 H    4.121800       2.698500      0.5832000    


%chk=000027694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027694

0 1
O 2.922817 -1.279527 0.321410
O 2.657383 1.554028 -0.382523
N -3.392558 0.178273 -0.355142
C -2.038038 -1.722411 0.442961
C -3.283684 -0.854274 0.700232
C -2.287513 1.156783 -0.276571
C -0.795003 -0.868676 0.232259
C -0.920480 0.498908 -0.129265
C 0.498664 -1.429714 0.364789
C 0.245939 1.279046 -0.312447
C -4.706594 0.842653 -0.389684
C 1.658728 -0.659841 0.155708
C 1.530304 0.723485 -0.160806
C 3.746073 -1.322769 -0.909552
C 3.517049 1.746985 0.808431
H -2.222105 -2.333382 -0.462430
H -1.882920 -2.423419 1.285793
H -4.193465 -1.481436 0.669289
H -3.226849 -0.397285 1.723094
H -2.434389 1.863983 0.586815
H -2.304555 1.776332 -1.194184
H 0.625123 -2.486666 0.625872
H 0.177007 2.341820 -0.572516
H -5.502481 0.089314 -0.527024
H -4.747620 1.542002 -1.244705
H -4.935160 1.425128 0.540023
H 4.696761 -1.790689 -0.610912
H 3.920535 -0.305400 -1.304185
H 3.246900 -1.942136 -1.678997
H 3.886978 0.778121 1.189781
H 2.953027 2.271269 1.603465
H 4.354825 2.374597 0.467620


