%chk=000032085.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032085

0 1
 O    6.298900       1.251900      0.5042000    
 O    2.741000      -2.116300     -0.1721000    
 O   0.5497000      -2.010200      -1.463700    
 O   -4.269800      -2.004200      9.4899997E-02
 O   -2.852100       2.568500     -4.5100000E-02
 O   -4.859300      0.6937000      0.3123000    
 N    3.863000     -0.1588000      0.3757000    
 C    5.109500     -0.8475000      0.7102000    
 C    3.877600       1.281400      0.6534000    
 C    6.298200     -0.1195000      9.9100001E-02
 C    5.120600       1.922300      4.9100000E-02
 C    2.755400     -0.8888000     -5.0000001E-02
 C    1.514400     -9.7999997E-02 -0.3783000    
 C   0.3711000     -0.9635000     -0.8449000    
 C   -1.020300     -0.5224000     -0.5355000    
 C   -1.278200      0.8258000     -0.4355000    
 C   -1.992900      -1.481000     -0.3641000    
 C   -3.294200      -1.068900     -7.6800004E-02
 C   -2.579500       1.237700     -0.1482000    
 C   -3.587500      0.2905000      3.1099999E-02
 C   -4.474200      -2.491700       1.419500    
 C   -3.243000       3.244400      -1.238700    
 C   -5.048300       1.454500       1.503300    
 H    5.183700     -0.8421000       1.804100    
 H    5.086700      -1.889200      0.3764000    
 H    2.983500       1.785700      0.2839000    
 H    3.894800       1.382900       1.745000    
 H    6.280500     -0.1729000     -0.9960000    
 H    7.233700     -0.5723000      0.4419000    
 H    5.090400       1.895500      -1.046700    
 H    5.190300       2.970300      0.3568000    
 H    1.741200      0.6169000      -1.175800    
 H    1.219200      0.4276000      0.5362000    
 H  -0.5111000       1.578400     -0.5893000    
 H   -1.770200      -2.541200     -0.4430000    
 H   -3.570400      -2.986200       1.789300    
 H   -4.758200      -1.676700       2.092300    
 H   -5.287000      -3.222600       1.393800    
 H   -3.439800       4.290900     -0.9907000    
 H   -2.439800       3.205400      -1.981400    
 H   -4.157000       2.804400      -1.649900    
 H   -5.060700       2.522400       1.268200    
 H   -6.024200       1.189100       1.920400    
 H   -4.284700       1.238900       2.259000    


%chk=000032085-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032085

0 1
O 5.330645 -1.116236 0.805199
O 2.050764 2.549428 0.752895
O 1.356160 -0.568083 -2.324176
O -3.213515 -2.112519 -1.037110
O -2.598534 2.161057 1.442035
O -4.265097 -0.079815 0.841927
N 3.659513 1.070591 -0.049005
C 4.445390 1.171332 1.204262
C 4.251425 0.151981 -1.050386
C 4.675422 -0.235344 1.788276
C 4.497131 -1.228484 -0.403407
C 2.491303 1.803170 -0.180877
C 1.718187 1.693157 -1.514859
C 0.894360 0.397287 -1.638827
C -0.431668 0.308637 -0.958741
C -0.888455 1.306140 -0.053745
C -1.247507 -0.814883 -1.237786
C -2.511306 -0.974577 -0.629984
C -2.150212 1.159982 0.543952
C -2.975729 0.023260 0.284212
C -4.256164 -2.714780 -0.186832
C -3.654907 3.037487 0.883730
C -4.327226 -0.134864 2.325604
H 5.422813 1.642008 0.978360
H 3.887599 1.814128 1.905149
H 3.579922 0.021910 -1.912880
H 5.219153 0.571359 -1.393278
H 3.705334 -0.677026 2.102597
H 5.359832 -0.195945 2.651367
H 3.523426 -1.700563 -0.152181
H 5.056627 -1.884529 -1.089562
H 2.405789 1.728155 -2.375666
H 1.063356 2.577171 -1.550107
H -0.274750 2.171084 0.218889
H -0.891083 -1.583698 -1.929227
H -3.882964 -2.881281 0.841810
H -5.160052 -2.087137 -0.155659
H -4.467527 -3.683543 -0.665482
H -3.895261 3.754374 1.683361
H -3.272099 3.577544 -0.002724
H -4.550337 2.449635 0.609476
H -3.797171 0.724973 2.767954
H -5.399248 -0.104323 2.572131
H -3.882339 -1.083118 2.683713


