%chk=000031831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031831

-2 1
 O    2.742200       2.247000      -2.500300    
 O   -2.711700       2.236700       2.517400    
 O    2.356500       2.392300     -0.2659000    
 O   -2.316800       2.393000      0.2853000    
 O    3.243000     -0.8150000       2.165900    
 O   -3.250400     -0.7833000      -2.173200    
 O    4.537000      -2.036100      0.7278000    
 O   -4.569000      -1.990000     -0.7454000    
 N    1.856000     -0.3079000     -0.1832000    
 N   -1.859100     -0.3147000      0.1821000    
 C   0.4570000     -0.3051000     -0.6094000    
 C  -0.4636000     -0.3354000      0.6070000    
 C    2.714500      0.2184000      -1.243700    
 C   -2.712900      0.2176000       1.245100    
 C    2.273900      -1.658900      0.1895000    
 C   -2.300700      -1.656700     -0.2003000    
 C    2.596100       1.717400      -1.259100    
 C   -2.570400       1.714300       1.272600    
 C    3.470000      -1.481500       1.116500    
 C   -3.491500      -1.452100      -1.128600    
 H   0.2233000      0.6128000      -1.166000    
 H   0.2666000      -1.134500      -1.301700    
 H  -0.2260000      0.5538000       1.207100    
 H  -0.2780000      -1.194500       1.262500    
 H    2.447000     -0.1974000      -2.222800    
 H    3.775700      9.3000000E-03  -1.066400    
 H   -2.454500     -0.2104000       2.221300    
 H   -3.776800      2.7000001E-02   1.063100    
 H    1.520000      -2.202600      0.7690000    
 H    2.515300      -2.277200     -0.6840000    
 H   -1.550200      -2.203500     -0.7823000    
 H   -2.552500      -2.278000      0.6679000    
 H    2.643300       3.223000      -2.495400    
 H   -2.597000       3.210900       2.520400    


%chk=000031831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031831

-2 1
O 3.339097 2.354544 -2.359982
O -3.323694 2.350592 2.388359
O 2.517813 2.669860 -0.213043
O -2.499833 2.685452 0.245349
O 3.998682 -2.942271 1.401607
O -4.020807 -2.896365 -1.436363
O 4.750250 -1.085558 0.216939
O -4.759503 -1.049157 -0.228970
N 1.916900 -0.268598 -0.154147
N -1.920578 -0.256684 0.151602
C 0.496399 -0.200616 -0.592742
C -0.499667 -0.204174 0.591131
C 2.847793 0.357305 -1.106453
C -2.847061 0.364932 1.111107
C 2.328180 -1.651575 0.222014
C -2.341872 -1.632618 -0.239315
C 2.830020 1.847606 -1.108743
C -2.818241 1.854898 1.131150
C 3.815500 -1.896738 0.667661
C -3.830403 -1.861465 -0.689323
H 0.338567 0.743495 -1.144133
H 0.255744 -1.036880 -1.298391
H -0.335085 0.732019 1.153922
H -0.265274 -1.050692 1.286521
H 2.743093 -0.000168 -2.161287
H 3.878993 0.000690 -0.739478
H -2.745261 -0.005829 2.161630
H -3.880787 0.020263 0.739822
H 1.696081 -1.993931 1.057871
H 2.142021 -2.365946 -0.628178
H -1.711102 -1.971315 -1.077635
H -2.162511 -2.356879 0.604005
H 3.371927 3.343485 -2.249019
H -3.349082 3.341017 2.289312


