%chk=000048781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048781

0 1
 O   -3.327200      0.8135000      0.8803000    
 O    1.433100      -1.720000       1.699700    
 O  -0.3582000      0.1551000      -2.215100    
 O    2.924300       2.330100      0.1412000    
 N    2.106700      0.3490000      0.9731000    
 N    1.211500       1.286000     -0.9821000    
 C   4.5000002E-02 -0.6093000      5.0600000E-02
 C   -1.075000      4.6999998E-02  0.8776000    
 C  -0.4120000      -2.001900     -0.4074000    
 C    1.255900     -0.7463000      0.9681000    
 C   0.2780000      0.2774000      -1.168600    
 C   -2.346200      0.1862000      6.6100001E-02
 C   0.7003000      -2.724800      -1.133200    
 C    2.124800       1.396000      5.9400000E-02
 C   -4.561100      0.9620000      0.1904000    
 H  -0.7693000       1.038600       1.238900    
 H   -1.280900     -0.5340000       1.787000    
 H   -1.259500      -1.955200      -1.099400    
 H  -0.7331000      -2.609900      0.4478000    
 H   -2.205400      0.8151000     -0.8164000    
 H   -2.742700     -0.7858000     -0.2394000    
 H    1.059300      -2.169500      -2.005000    
 H    1.558900      -2.943700     -0.4928000    
 H   0.3301000      -3.689100      -1.499200    
 H    2.845100      0.3472000       1.671200    
 H    1.290000       1.975000      -1.725000    
 H   -4.432800       1.589300     -0.6971000    
 H   -5.273100       1.450100      0.8614000    
 H   -4.963700     -1.5400000E-02 -9.2900001E-02


%chk=000048781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048781

0 1
O -3.415768 0.882840 0.898041
O 1.179257 -1.548133 1.958503
O -0.326434 0.340175 -2.246027
O 3.275851 2.140369 0.064392
N 2.166266 0.309075 1.005092
N 1.408070 1.249127 -1.024960
C 0.029091 -0.581658 0.010408
C -1.185273 0.054953 0.801292
C -0.320424 -2.012140 -0.502553
C 1.161350 -0.675934 1.053641
C 0.346469 0.336642 -1.181978
C -2.516527 0.105080 0.036941
C 0.856804 -2.735266 -1.189193
C 2.346233 1.298287 0.022340
C -4.750037 1.020038 0.317284
H -0.936800 1.089293 1.109051
H -1.321949 -0.537287 1.724347
H -1.157686 -1.919931 -1.215809
H -0.668105 -2.599154 0.366489
H -2.405744 0.594980 -0.952553
H -2.932669 -0.913158 -0.121511
H 1.215020 -2.176072 -2.073127
H 1.703672 -2.885963 -0.495552
H 0.536210 -3.732467 -1.539133
H 2.868159 0.294522 1.752708
H 1.557773 1.921889 -1.784468
H -4.715260 1.541565 -0.662987
H -5.336941 1.619542 1.030586
H -5.237807 0.031487 0.177937


