%chk=000038485.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038485

0 1
 O   -2.979600      0.3430000      0.6009000    
 O   -1.469000     -2.2900000E-02  -1.103500    
 N   -6.492600     -0.2054000     -0.3789000    
 C    4.733100      0.8189000     -0.9465000    
 C    5.784700      0.3556000      5.4699998E-02
 C    3.333900      0.7170000     -0.3912000    
 C    2.808200     -0.4679000      0.1573000    
 C    6.013100      -1.150200      1.6400000E-02
 C   0.6955000      0.6934000      0.5819000    
 C    1.481800     -0.4576000      0.6357000    
 C    2.521900       1.868000     -0.4478000    
 C    3.512800      -1.760200      0.2259000    
 C    4.821500      -2.042200      0.1650000    
 C    1.216100       1.858100      3.7799999E-02
 C  -0.7029000      0.6696000       1.099500    
 C   -5.365600      0.1155000      0.4842000    
 C   -4.055800      3.1000001E-03 -0.2794000    
 C   -1.729600      0.2870000      5.1199999E-02
 C   -7.757900     -5.6800000E-02  0.3443000    
 C   -6.369700      -1.566000     -0.9077000    
 H    4.796500      0.2624000      -1.889500    
 H    4.950600       1.865800      -1.194300    
 H    6.739000      0.8393000     -0.1903000    
 H    5.527700      0.6760000       1.072600    
 H    6.728400      -1.405200      0.8084000    
 H    6.503600      -1.408400     -0.9310000    
 H    1.050600      -1.365500       1.057000    
 H    2.907900       2.791200     -0.8747000    
 H    2.854200      -2.621100      0.3475000    
 H    5.081200      -3.099300      0.2330000    
 H   0.6186000       2.763800     -2.0300001E-02
 H  -0.7804000     -4.1999999E-02   1.930600    
 H  -0.9667000       1.658600       1.494000    
 H   -5.331400     -0.5306000       1.372000    
 H   -5.456900       1.142000      0.8626000    
 H   -4.050300      0.6874000      -1.136500    
 H   -3.870700      -1.018200     -0.6264000    
 H   -7.869200      0.9672000      0.7178000    
 H   -7.830900     -0.7446000       1.194600    
 H   -8.607500     -0.2396000     -0.3230000    
 H   -7.290100      -1.856300      -1.429300    
 H   -6.187400      -2.306700     -0.1204000    
 H   -5.583600      -1.640200      -1.665300    


%chk=000038485-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038485

0 1
O -2.675639 -0.067980 1.047996
O -1.521509 -2.070656 1.346058
N -5.892836 -0.401590 -0.849483
C 4.134401 1.251477 -1.028083
C 5.474545 0.652766 -0.517909
C 2.934994 0.899676 -0.164134
C 2.608980 -0.456011 0.169980
C 5.723999 -0.779130 -1.029372
C 0.618868 0.337112 1.430799
C 1.445107 -0.703667 0.952420
C 2.101370 1.935066 0.320210
C 3.370341 -1.647226 -0.266730
C 4.631126 -1.795431 -0.777178
C 0.957286 1.671333 1.105694
C -0.612628 0.029442 2.286926
C -4.828997 0.205012 -0.016459
C -3.693516 -0.795289 0.230986
C -1.617165 -0.835784 1.535314
C -6.688944 0.606953 -1.578508
C -6.752841 -1.344514 -0.104030
H 3.966226 0.893943 -2.065378
H 4.217275 2.352743 -1.085974
H 6.314227 1.292247 -0.852918
H 5.483720 0.667989 0.588258
H 6.662663 -1.168522 -0.580255
H 5.923521 -0.747777 -2.123232
H 1.177552 -1.741793 1.187445
H 2.350498 2.973237 0.068291
H 2.806209 -2.583946 -0.139158
H 4.923090 -2.826627 -1.031548
H 0.329613 2.498241 1.458207
H -0.311990 -0.533623 3.189480
H -1.101325 0.965383 2.600371
H -5.211674 0.581870 0.965029
H -4.411920 1.073506 -0.557282
H -3.231680 -1.116705 -0.718201
H -4.014774 -1.692833 0.787735
H -6.022953 1.234160 -2.196976
H -7.278629 1.281891 -0.907140
H -7.399532 0.096689 -2.253378
H -7.468758 -1.816997 -0.799703
H -7.337600 -0.849729 0.713235
H -6.147601 -2.148909 0.347493


