%chk=000044075.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044075

0 1
 O    3.612200       2.772200     -0.2794000    
 O    3.393500      -3.095800       1.250200    
 O   -5.447500     -0.8351000      -1.188200    
 O   -1.196800       3.096100      0.5038000    
 O    3.453800       1.066700      -1.823200    
 O    2.844000      -2.634800     -0.9414000    
 O   -4.551000     -0.8148000      0.9363000    
 O   -1.576800       1.364500       1.978700    
 N    1.746600     -0.2329000     -3.8600001E-02
 N   -2.076200     -0.2571000     -0.2484000    
 C   0.3834000     -0.6616000      0.3674000    
 C  -0.7285000     -0.6769000     -0.6402000    
 C  -0.1670000      -1.968700     -0.1229000    
 C    1.895700       1.219900      4.1600000E-02
 C    2.775700     -0.8960000      0.7618000    
 C   -3.118900     -0.9395000      -1.028900    
 C   -2.256400       1.198300     -0.3535000    
 C    3.062700       1.641100     -0.8162000    
 C    2.996200      -2.287100      0.2218000    
 C   -4.425500     -0.8559000     -0.2801000    
 C   -1.650100       1.856400      0.8608000    
 C    4.740700       3.303000     -0.9818000    
 C    3.644400      -4.460800      0.9001000    
 C   -6.764600     -0.7581000     -0.6330000    
 C  -0.5898000       3.856700       1.553400    
 H   0.1396000     -0.4247000       1.399200    
 H  -0.4654000     -0.4315000      -1.667100    
 H   0.3698000      -2.571000     -0.8428000    
 H  -0.7591000      -2.552300      0.5733000    
 H    2.024500       1.552100       1.078400    
 H    1.022100       1.727600     -0.3804000    
 H    2.491400     -0.9323000       1.820500    
 H    3.749500     -0.3963000      0.6928000    
 H   -2.895200      -2.007400      -1.137600    
 H   -3.208500     -0.5047000      -2.031800    
 H   -3.311700       1.495800     -0.3530000    
 H   -1.798300       1.583600      -1.272500    
 H    5.080600       4.197200     -0.4527000    
 H    4.454900       3.584400      -1.999700    
 H    5.555300       2.572500     -0.9962000    
 H    3.949800      -4.993200       1.804800    
 H    4.454300      -4.520700      0.1667000    
 H    2.733600      -4.924700      0.5098000    
 H   -7.481400     -0.7484000      -1.458400    
 H   -6.879100      0.1653000     -5.7300001E-02
 H   -6.962700      -1.632600     -5.9000002E-03
 H  -0.2277000       4.795700       1.126600    
 H   0.2605000       3.313600       1.976800    
 H   -1.328000       4.083300       2.328300    


%chk=000044075-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044075

0 1
O 3.436820 2.451452 -0.010142
O 4.096198 -2.890392 0.763264
O -5.489959 -1.480873 -0.655836
O -0.765374 3.328780 -0.031620
O 3.904229 0.223607 -0.516919
O 2.375876 -2.910083 -0.805910
O -5.214881 0.809051 -0.366040
O -1.545058 2.039272 1.756968
N 1.327918 -0.526028 0.614400
N -2.283592 0.084411 -0.401786
C -0.103749 -0.707769 0.731860
C -0.972702 -0.536860 -0.532404
C -0.745147 -1.928328 0.065750
C 1.774462 0.862767 0.619016
C 2.191329 -1.519696 1.259117
C -3.330756 -0.593404 -1.197912
C -2.254071 1.549604 -0.585958
C 3.136057 1.081371 -0.034999
C 2.858125 -2.480945 0.263134
C -4.741319 -0.305624 -0.687874
C -1.509567 2.275354 0.532505
C 4.737703 2.832208 -0.613163
C 4.847968 -3.839775 -0.090617
C -6.905025 -1.332085 -0.227781
C -0.035827 4.225989 0.899898
H -0.595565 -0.360984 1.655327
H -0.402664 -0.329498 -1.457287
H -0.080435 -2.595848 -0.489751
H -1.578791 -2.395595 0.598879
H 1.824612 1.322301 1.638551
H 1.045609 1.470661 0.052335
H 1.600237 -2.144952 1.959542
H 2.993110 -1.046631 1.854731
H -3.159271 -1.678886 -1.147907
H -3.307279 -0.307968 -2.281134
H -3.296367 1.920992 -0.569542
H -1.794678 1.855378 -1.554494
H 4.786386 3.925224 -0.510814
H 4.769769 2.529858 -1.673265
H 5.566159 2.344574 -0.072315
H 5.755988 -4.076855 0.481560
H 5.097358 -3.359948 -1.051680
H 4.247683 -4.745583 -0.282061
H -7.317406 -2.349471 -0.269787
H -7.441299 -0.653974 -0.912682
H -6.948803 -0.923710 0.795305
H -0.296795 5.255435 0.610683
H 1.043458 4.048165 0.759622
H -0.332073 4.016415 1.941131


