%chk=000099465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099465

0 1
 O   -5.618300     -0.8295000     -0.7769000    
 O   -3.700600      -1.953100       1.019600    
 O   -3.734400      0.1665000      -2.655200    
 O   -5.546300      0.9517000       2.256400    
 O    3.147000       3.182500      0.4551000    
 O    1.023600       2.912100     -3.1700000E-02
 O    5.382800      -2.591300      0.2065000    
 O    6.127600     -0.5682000      0.6213000    
 N  -0.9789000     -0.1473000     -0.8499000    
 N   2.7500000E-02  0.6864000     -0.5234000    
 N    2.173800       2.451500      0.1564000    
 N    5.197200      -1.355700      0.3232000    
 C   -4.455600     -0.1120000     -0.3586000    
 C   -4.073000     -0.5763000       1.061300    
 C   -3.341400     -0.3391000      -1.388900    
 C   -5.194400     -0.4121000       2.088700    
 C   -2.111200      0.4513000      -1.015500    
 C    1.324800      0.1958000     -0.3082000    
 C    2.382300       1.049800      2.5900001E-02
 C    1.565200      -1.177600     -0.4305000    
 C    3.662600      0.5372000      0.2348000    
 C    3.894300     -0.8326000      0.1110000    
 C    2.845500      -1.690000     -0.2215000    
 H   -4.726900      0.9512000     -0.3424000    
 H   -3.207400     -1.3000000E-03   1.411500    
 H   -3.106800      -1.399500      -1.519600    
 H   -4.862500     -0.8034000       3.057500    
 H   -6.084900     -0.9858000       1.810700    
 H   -2.233700       1.544300     -0.8963000    
 H   -6.381300     -0.4617000     -0.3000000    
 H   -2.824700      -2.011400      0.6023000    
 H   -4.061000       1.074700      -2.536100    
 H  -0.1536000       1.676700     -0.4318000    
 H   -6.249100      0.9855000       2.927500    
 H   0.7751000      -1.878500     -0.6876000    
 H    4.483400       1.201900      0.4941000    
 H    2.989100      -2.762500     -0.3264000    


%chk=000099465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099465

0 1
O -5.650410 0.021660 -0.324485
O -2.659131 -1.632698 0.166627
O -4.418197 1.463510 -2.174303
O -5.624748 -0.822039 2.173461
O 3.887596 2.769944 -1.081758
O 1.674700 2.929537 -1.587365
O 4.387520 -2.704171 1.935610
O 5.728082 -0.973127 1.278819
N -1.212458 0.442779 -0.877391
N 0.045044 1.027493 -0.912051
N 2.695623 2.291494 -1.057006
N 4.581027 -1.560445 1.363453
C -4.257340 0.351924 0.012720
C -3.545828 -0.728625 0.904858
C -3.610642 0.530961 -1.393516
C -4.548787 -1.667437 1.592913
C -2.219703 1.119504 -1.378171
C 1.139741 0.394481 -0.361293
C 2.454339 0.994406 -0.418501
C 1.022536 -0.875703 0.293467
C 3.577786 0.352253 0.145243
C 3.408932 -0.887242 0.770790
C 2.132515 -1.508111 0.849220
H -4.237554 1.323198 0.551382
H -2.968673 -0.180005 1.679359
H -3.599842 -0.475578 -1.863329
H -4.034699 -2.240214 2.385004
H -4.966747 -2.359459 0.838445
H -2.123402 2.124870 -1.822434
H -6.114495 -0.149139 0.548750
H -1.924800 -1.064187 -0.232756
H -5.364953 1.220307 -1.978718
H 0.234801 1.951844 -1.357255
H -6.177845 -1.351676 2.796972
H 0.041363 -1.348260 0.358590
H 4.561930 0.824545 0.089608
H 2.042517 -2.476394 1.348340


