%chk=000055691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055691

0 1
 O   -1.492600     -0.3809000     -0.4614000    
 O  -0.8987000      -2.076100      0.9784000    
 O    4.173900      -1.854400      0.1892000    
 O    2.446300       2.556000     -0.5196000    
 O    4.606900      0.8353000     -0.3091000    
 N   -4.572100      0.1638000       1.157700    
 C   -3.708000      0.1337000      -1.292600    
 C   -2.856200     -0.7809000     -0.3938000    
 C   -3.680500       1.558800     -0.7129000    
 C   -5.156700     -0.3682000      -1.215400    
 C   -3.368900     -0.6940000       1.055000    
 C   -4.212700       1.532900      0.7288000    
 C   -5.617600     -0.3612000      0.2517000    
 C  -0.6171000      -1.117600      0.2760000    
 C   0.7658000     -0.5999000      0.1211000    
 C   0.9517000      0.7450000     -0.1265000    
 C    1.822900      -1.480100      0.2292000    
 C    3.122400     -0.9946000      8.3300002E-02
 C    2.251200       1.230500     -0.2727000    
 C    3.336500      0.3607000     -0.1679000    
 C    4.617800      -2.486000      -1.009900    
 C    2.598100       3.410500      0.6122000    
 C    5.487500      0.6667000      0.7994000    
 H   -3.335500      0.1387000      -2.322300    
 H   -2.935100      -1.811900     -0.7642000    
 H   -4.299800       2.224400      -1.326100    
 H   -2.661000       1.961100     -0.7301000    
 H   -5.229000      -1.382200      -1.626000    
 H   -5.810700      0.2742000      -1.816800    
 H   -3.622600      -1.698700       1.416600    
 H   -2.614500     -0.3066000       1.750300    
 H   -3.462300       1.950700       1.411600    
 H   -5.087000       2.189800      0.8171000    
 H   -6.530200      0.2392000      0.3530000    
 H   -5.898700      -1.375900      0.5606000    
 H   0.1192000       1.439300     -0.1991000    
 H    1.661500      -2.537100      0.4221000    
 H    5.468800      -3.127200     -0.7644000    
 H    4.941900      -1.739900      -1.742300    
 H    3.821800      -3.107000      -1.433000    
 H    1.695300       3.390600       1.230800    
 H    2.752700       4.431300      0.2521000    
 H    3.467600       3.114100       1.207100    
 H    6.104600     -0.2246000      0.6560000    
 H    4.949200      0.6092000       1.752000    
 H    6.151800       1.535200      0.8361000    


%chk=000055691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055691

0 1
O -1.661302 -0.299634 -0.365506
O -0.956956 -2.471945 0.115039
O 4.165690 -1.929024 0.391342
O 2.297470 2.603294 -0.502191
O 4.653312 0.855327 -0.039857
N -4.859505 -0.034781 1.225767
C -3.901189 0.252310 -1.178310
C -3.075334 -0.789406 -0.397481
C -3.886198 1.615960 -0.434119
C -5.361948 -0.278590 -1.246916
C -3.668518 -0.912851 1.050399
C -4.462019 1.392456 1.011718
C -5.905036 -0.413362 0.226021
C -0.684095 -1.260934 -0.089655
C 0.689252 -0.680450 -0.075815
C 0.918307 0.696274 -0.288647
C 1.780266 -1.556366 0.155117
C 3.083986 -1.040554 0.167899
C 2.229200 1.228812 -0.251177
C 3.333567 0.355339 -0.011940
C 5.001589 -2.174154 -0.808256
C 3.437556 3.411210 -0.034297
C 5.421095 0.696677 1.221404
H -3.484081 0.365654 -2.194302
H -3.071064 -1.768137 -0.910914
H -4.498956 2.343367 -0.999100
H -2.855433 2.009390 -0.396877
H -5.391566 -1.252740 -1.772094
H -5.975928 0.427883 -1.836126
H -3.956815 -1.956247 1.264383
H -2.902016 -0.615718 1.788657
H -3.712918 1.650539 1.781655
H -5.353207 2.020516 1.191555
H -6.780301 0.240684 0.388883
H -6.221115 -1.450334 0.440648
H 0.084602 1.377189 -0.471878
H 1.609342 -2.625215 0.308858
H 5.790049 -2.868330 -0.480008
H 5.445169 -1.231662 -1.178191
H 4.394107 -2.643819 -1.604661
H 3.621990 3.250156 1.045195
H 3.118904 4.451498 -0.204053
H 4.351871 3.183058 -0.603366
H 5.449156 -0.362942 1.526937
H 4.963980 1.310882 2.021091
H 6.432938 1.065419 0.994467


