%chk=000027368.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027368

0 1
 O   0.7374000      0.4952000     -0.1355000    
 O  -0.5296000     -0.7038000       1.368700    
 N    4.355800     -0.1768000      0.1055000    
 C   -1.597000      0.8583000     -0.1818000    
 C    3.122000      0.4136000     -0.3917000    
 C   -1.774900       2.222000      0.5162000    
 C    1.923200     -0.1236000      0.3738000    
 C    5.514900      0.3714000     -0.6031000    
 C    4.324000      -1.635100     -2.9899999E-02
 C   -2.858200      8.2999999E-03 -0.2091000    
 C  -0.4324000      0.1095000      0.4589000    
 C   -2.827500       3.099400     -0.1500000    
 C    5.570100       1.884500     -0.4773000    
 C    5.578100      -2.267600      0.5491000    
 C   -3.095400     -0.7994000      -1.303100    
 C   -3.728100      6.8999998E-02  0.8610000    
 C   -4.251700      -1.579100      -1.328300    
 C   -4.884400     -0.7108000      0.8356000    
 C   -5.146100      -1.534900     -0.2590000    
 H   -1.319800       1.057000      -1.227600    
 H    3.101300       1.500300     -0.2541000    
 H    2.985000      0.2372000      -1.467200    
 H  -0.8176000       2.759100      0.4740000    
 H   -1.990400       2.115700       1.585300    
 H    2.016000      9.7499996E-02   1.444000    
 H    1.784800      -1.198300      0.2303000    
 H    6.446300      3.8999999E-03 -0.1604000    
 H    5.516900      9.0300001E-02  -1.663800    
 H    4.192800      -1.949700      -1.072800    
 H    3.510300      -2.071500      0.5549000    
 H   -3.836500       2.690800     -5.1700000E-02
 H   -2.830200       4.091600      0.3133000    
 H   -2.610700       3.229400      -1.215300    
 H    6.554800       2.242100     -0.7996000    
 H    5.428800       2.213200      0.5581000    
 H    4.835800       2.385400      -1.115800    
 H    5.431300      -3.349200      0.6494000    
 H    5.807600      -1.876700       1.546400    
 H    6.451500      -2.132300     -9.6299998E-02
 H   -2.403500     -0.8426000      -2.138900    
 H   -3.547000      0.6773000       1.739500    
 H   -4.455000      -2.221700      -2.180000    
 H   -5.578300     -0.6812000       1.670700    
 H   -6.045600      -2.143300     -0.2778000    


%chk=000027368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027368

0 1
O 0.702565 0.839395 -0.156435
O -0.252869 0.808743 1.967185
N 4.225449 -0.442231 -0.241206
C -1.628282 1.441990 0.001272
C 2.934814 0.089289 -0.744331
C -2.305808 2.609654 0.781926
C 1.996098 0.373367 0.434159
C 5.406103 0.037357 -1.006642
C 4.203349 -1.918318 -0.047946
C -2.561816 0.235696 -0.178453
C -0.358016 1.006222 0.733533
C -3.521578 3.196604 0.037731
C 5.758460 1.506363 -0.705282
C 5.194607 -2.400873 1.028166
C -2.998289 -0.144171 -1.471664
C -3.018829 -0.503254 0.944146
C -3.881680 -1.234644 -1.644516
C -3.899338 -1.593616 0.772650
C -4.336402 -1.962734 -0.521562
H -1.325759 1.802553 -0.998346
H 3.111326 1.032379 -1.290457
H 2.434376 -0.606399 -1.457906
H -1.553061 3.404282 0.952701
H -2.603947 2.241193 1.780634
H 2.400915 1.163877 1.089063
H 1.803482 -0.523624 1.049324
H 6.267012 -0.594648 -0.722941
H 5.262756 -0.099832 -2.108707
H 4.396153 -2.456249 -1.010857
H 3.180886 -2.201693 0.265059
H -4.301098 2.431150 -0.125021
H -3.971012 4.022800 0.617891
H -3.230367 3.598881 -0.951239
H 6.656553 1.813017 -1.273488
H 5.958433 1.634259 0.372667
H 4.937975 2.193020 -0.983019
H 5.117361 -3.496322 1.160094
H 4.975494 -1.910743 1.992582
H 6.241568 -2.170496 0.759799
H -2.645740 0.415925 -2.346381
H -2.668460 -0.232391 1.946990
H -4.212213 -1.514372 -2.651328
H -4.242245 -2.157966 1.647415
H -5.020124 -2.809037 -0.652660


