%chk=000055159.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055159

0 1
 O    3.325500       1.439700     -0.1567000    
 O    5.795900      0.4247000      0.2649000    
 O   -2.129100      -1.977100       1.517700    
 O   -1.168400       1.104900      -1.725900    
 O   -4.150300      -2.646100     -0.2694000    
 N  -0.7279000       2.665000     -5.0700001E-02
 C   -3.031300       2.772100      0.8415000    
 C   -1.988800       3.369600     -0.1005000    
 C   0.9114000       1.046700     -0.6348000    
 C   -3.328200       1.322300      0.5472000    
 C    2.438800     -0.7840000     -0.6101000    
 C    1.988700       1.965700     -0.1544000    
 C    3.480600      8.5199997E-02 -0.2704000    
 C    1.104800     -0.2549000     -0.8587000    
 C  -0.4273000       1.590600     -0.8709000    
 C   -2.584300      0.3350000       1.174300    
 C    4.769000     -0.4117000     -5.7300001E-02
 C   -4.339200       1.003200     -0.3459000    
 C    2.696300      -2.155200     -0.7263000    
 C   -2.858300      -1.005200      0.9015000    
 C   -3.872800      -1.341100      4.9999999E-03
 C   -4.613300     -0.3369000     -0.6187000    
 C    5.017900      -1.778800     -0.1711000    
 C    3.982500      -2.649800     -0.5044000    
 C    6.020800      0.6695000       1.651500    
 C   -1.110600      -1.549400       2.419700    
 C   -5.202500      -2.904000      -1.197100    
 H   -3.956900       3.358200      0.7804000    
 H   -2.689400       2.867100       1.880700    
 H   -1.790400       4.410300      0.1762000    
 H   -2.356400       3.359100      -1.133100    
 H    1.797500       2.270500      0.8803000    
 H    2.013900       2.869700     -0.7734000    
 H   0.3245000     -0.9280000      -1.195000    
 H  -7.6099999E-02   2.978000      0.6592000    
 H   -1.813100      0.6563000       1.865500    
 H   -4.918500       1.779400     -0.8378000    
 H    1.902700      -2.850000     -0.9908000    
 H   -5.414300     -0.5229000      -1.325800    
 H    6.017100      -2.171900     -4.1999999E-03
 H    4.176900      -3.714600     -0.5950000    
 H    6.278400     -0.2607000       2.167900    
 H    5.137400       1.122600       2.112300    
 H    6.859300       1.365000       1.745100    
 H  -0.3324000     -0.9728000       1.909100    
 H   -1.530800      -1.014000       3.277900    
 H  -0.6296000      -2.451100       2.812900    
 H   -6.167200      -2.544300     -0.8234000    
 H   -4.968100      -2.511500      -2.192400    
 H   -5.285600      -3.991400      -1.296000    


%chk=000055159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055159

0 1
O 3.596256 0.794033 0.067270
O 6.208184 -0.529317 0.291857
O -4.705448 -0.992530 3.278312
O -0.521436 1.666734 -2.450212
O -4.631157 -2.562025 1.143323
N -0.367274 2.475503 -0.274038
C -2.621449 2.849010 0.791178
C -1.633863 3.220717 -0.337897
C 1.408701 1.009620 -1.132399
C -3.095819 1.397029 0.824981
C 3.197092 -0.449967 -2.018951
C 2.129087 0.985502 0.207127
C 4.007845 -0.170831 -0.876613
C 1.936387 0.272159 -2.158332
C 0.115500 1.733311 -1.346181
C -3.641932 0.889161 2.036572
C 5.289131 -0.770287 -0.737959
C -3.057819 0.550447 -0.301806
C 3.675275 -1.335449 -3.018783
C -4.149115 -0.423522 2.124395
C -4.109464 -1.273060 0.971579
C -3.560985 -0.771772 -0.226841
C 5.739335 -1.652100 -1.753376
C 4.944105 -1.933961 -2.884430
C 5.726137 -0.273275 1.662594
C -4.777398 -0.149949 4.471490
C -4.608235 -3.445902 -0.023103
H -3.497629 3.522590 0.680490
H -2.171625 3.110143 1.772257
H -1.429077 4.309202 -0.286275
H -2.061150 3.018029 -1.334153
H 1.732749 0.171414 0.853780
H 2.058994 1.940799 0.755940
H 1.397996 0.246944 -3.112664
H 0.142895 2.488529 0.609663
H -3.671763 1.540560 2.917352
H -2.630156 0.895839 -1.248714
H 3.049336 -1.536488 -3.895172
H -3.513975 -1.405693 -1.117245
H 6.726545 -2.105763 -1.621449
H 5.317726 -2.619108 -3.651753
H 5.002102 -1.049313 1.976301
H 5.258987 0.720719 1.742002
H 6.631095 -0.331943 2.286890
H -3.769181 0.160474 4.811435
H -5.400596 0.749487 4.296270
H -5.247670 -0.782614 5.238559
H -5.206579 -3.030107 -0.857624
H -3.572649 -3.633046 -0.369554
H -5.059218 -4.386934 0.324507


