%chk=000000826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000826

0 1
 O    1.974600      -2.590700       1.024500    
 O   -1.880900      -3.285100      -1.592400    
 O   -2.967600      -3.788100      0.3251000    
 O   -4.142900      0.8674000      -1.471100    
 O    5.229000      0.2328000       1.715800    
 O   -5.677900       1.221400      0.1677000    
 O    5.447100       1.548400     -0.1204000    
 O   0.9900000       1.355000      0.9050000    
 N   0.1834000      -2.208900     -0.4035000    
 N    2.756300       1.175200     -0.5893000    
 N   -3.855700       2.980400       1.340800    
 N   0.1805000       2.123900      -2.072500    
 C   -1.391500      -1.425700       1.309000    
 C   -2.102000     -0.3451000      0.4818000    
 C  -0.8583000      -2.616500      0.5032000    
 C   -2.663000      0.8001000       1.332600    
 C    3.706400      -1.098300     -0.7666000    
 C   -3.349000       1.895300      0.5022000    
 C    2.411400      -1.778400      -1.215100    
 C    3.473400      0.1375000      0.1067000    
 C    1.530400      -2.230500     -6.2300000E-02
 C   -2.002800      -3.287600     -0.2433000    
 C   -4.530300       1.308500     -0.2452000    
 C    4.799100      0.7384000      0.5298000    
 C    1.557200       1.706600     -0.1274000    
 C    1.006000       2.777600      -1.060100    
 C   0.1771000       3.786300     -0.2748000    
 H  -0.5625000     -0.9618000       1.858500    
 H   -2.094300      -1.798300       2.065600    
 H   -1.408300      6.4599998E-02 -0.2611000    
 H   -2.920200     -0.8195000     -6.8300001E-02
 H  -0.4396000      -3.365600       1.185600    
 H   -1.844500       1.245900       1.912100    
 H   -3.374100      0.3833000       2.058400    
 H    4.320800      -1.819400     -0.2122000    
 H    4.284800     -0.8241000      -1.658500    
 H   -2.650800       2.322300     -0.2251000    
 H    2.654600      -2.669500      -1.805800    
 H    1.852100      -1.102200      -1.872100    
 H    2.924700     -0.1236000       1.017700    
 H  -8.9500003E-02  -1.890800      -1.329000    
 H    3.164700       1.543700      -1.443600    
 H   -3.085700       3.391200       1.867600    
 H   -4.225000       3.725300      0.7508000    
 H    1.832700       3.305700      -1.549100    
 H   -2.641800      -3.722800      -2.030100    
 H  -0.6474000       3.312200      0.2655000    
 H  -0.2436000       4.552400     -0.9352000    
 H   0.8003000       4.293200      0.4707000    
 H  -0.2075000       2.824200      -2.703400    
 H   0.7625000       1.515000      -2.646800    
 H    6.097900      0.6051000       1.978100    
 H   -4.890600      0.4772000      -1.972000    


%chk=000000826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000826

0 1
O 1.667995 -2.346356 1.199106
O -1.886932 -3.479691 -1.894397
O -2.895773 -4.501287 -0.067598
O -4.825994 0.613026 -0.311356
O 4.627794 0.317928 2.208736
O -5.077038 2.768753 0.493060
O 4.952973 2.092202 0.747358
O 0.384058 1.171534 -0.358954
N 0.149033 -2.530605 -0.545698
N 2.673530 1.518385 -0.628193
N -2.524860 2.848975 1.475759
N 0.159517 2.761364 -2.876616
C -1.562812 -2.020034 1.240735
C -2.195088 -0.839083 0.475793
C -0.909099 -3.093823 0.306191
C -2.475582 0.357078 1.408539
C 3.533937 -0.853107 -0.337403
C -2.861966 1.675982 0.667670
C 2.361833 -1.565664 -1.037313
C 3.114146 0.494226 0.332594
C 1.370908 -2.166347 -0.024809
C -1.985890 -3.779778 -0.521087
C -4.340411 1.772697 0.308202
C 4.304894 1.075488 1.093209
C 1.350187 1.835284 -0.859316
C 1.101526 3.060081 -1.782975
C 0.550593 4.227446 -0.933725
H -0.751523 -1.658553 1.898571
H -2.308879 -2.532112 1.877379
H -1.485990 -0.492411 -0.299998
H -3.125441 -1.151497 -0.032772
H -0.457218 -3.860687 0.964309
H -1.546070 0.593382 1.960457
H -3.244927 0.116808 2.166774
H 3.925198 -1.512184 0.457267
H 4.342685 -0.656305 -1.066679
H -2.317368 1.647063 -0.310898
H 2.765808 -2.391219 -1.656708
H 1.833577 -0.877008 -1.722727
H 2.287827 0.283697 1.035435
H -0.080398 -2.346600 -1.524171
H 3.407436 2.146845 -0.972756
H -1.527647 3.039042 1.570334
H -3.134554 3.661156 1.363292
H 2.060713 3.373052 -2.240908
H -2.635727 -3.916007 -2.382657
H -0.414042 3.941096 -0.474126
H 0.382968 5.100874 -1.585316
H 1.250859 4.507860 -0.126478
H -0.768503 2.493145 -2.526729
H 0.511733 2.081465 -3.559981
H 5.424238 0.704849 2.664471
H -5.786534 0.753176 -0.534397


