%chk=000061081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061081

0 1
 O    2.359000      -1.693100      0.9561000    
 O    4.063500       3.681000     -0.2248000    
 O    4.461400      -2.558600     -0.8976000    
 N    3.676600      1.8999999E-02  0.1126000    
 C   -2.641400     -0.4995000      0.1995000    
 C   -1.319600      0.1962000     -0.1380000    
 C   -3.875600      0.2875000     -0.2501000    
 C  -8.6599998E-02 -0.5779000      0.3325000    
 C   -5.165400     -0.4386000      0.1405000    
 C    1.203100      0.1676000     -1.8800000E-02
 C   -6.436000      0.3191000     -0.2575000    
 C    2.453100     -0.5962000      0.3990000    
 C   -7.757900     -0.3482000      0.1293000    
 C    3.837800       1.313500     -0.5454000    
 C    4.919300     -0.6482000      0.4804000    
 C   -8.984300      0.4706000     -0.2414000    
 C    3.870400       2.450100      0.4600000    
 C    5.422700      -1.544400     -0.6363000    
 H   -2.654000      -1.491500     -0.2688000    
 H   -2.691500     -0.6606000       1.283600    
 H   -1.261900      0.3455000      -1.223300    
 H   -1.314800       1.193600      0.3191000    
 H   -3.846700      0.4298000      -1.336800    
 H   -3.862000       1.283500      0.2082000    
 H  -8.0399998E-02  -1.572200     -0.1308000    
 H  -0.1401000     -0.7333000       1.417000    
 H   -5.180900      -1.430500     -0.3277000    
 H   -5.175900     -0.6006000       1.225400    
 H    1.235700      0.3146000      -1.103900    
 H    1.200900       1.145800      0.4710000    
 H   -6.402700       1.317200      0.1982000    
 H   -6.426300      0.4761000      -1.343600    
 H   -7.767700     -0.5290000       1.210800    
 H   -7.822600      -1.328800     -0.3569000    
 H    4.754800       1.306700      -1.147200    
 H    3.026500       1.483200      -1.259300    
 H    5.672600      0.1012000      0.7463000    
 H    4.733300      -1.257500       1.372600    
 H   -8.970700       1.443200      0.2606000    
 H   -9.897000     -5.4499999E-02  5.6899998E-02
 H   -9.026600      0.6423000      -1.321600    
 H    4.693300       2.320700       1.170700    
 H    2.938600       2.512100       1.029500    
 H    6.361400      -2.024100     -0.3428000    
 H    5.587700     -0.9791000      -1.558900    
 H    4.083300       4.382000      0.4487000    
 H    4.819500      -3.114000      -1.610900    


%chk=000061081-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061081

0 1
O 2.298699 -1.789531 1.039298
O 4.258770 3.533590 -0.253147
O 4.960732 -2.022085 -1.642181
N 3.662104 -0.130942 0.134481
C -2.717805 -0.423002 0.375306
C -1.390337 0.161176 -0.158192
C -3.970826 0.243633 -0.235520
C -0.145729 -0.540627 0.427792
C -5.297648 -0.328866 0.312271
C 1.170607 0.077669 -0.082705
C -6.551935 0.324044 -0.311239
C 2.407800 -0.689149 0.413763
C -7.878446 -0.244244 0.243083
C 3.843287 1.183987 -0.501793
C 4.867678 -0.901144 0.504251
C -9.126436 0.408698 -0.389809
C 3.994276 2.317960 0.530970
C 5.771427 -1.266347 -0.682474
H -2.745216 -1.513281 0.169362
H -2.746136 -0.316338 1.479970
H -1.374668 0.076970 -1.265673
H -1.353309 1.247735 0.070832
H -3.948259 0.122797 -1.339078
H -3.936801 1.336744 -0.042714
H -0.159752 -1.616924 0.176425
H -0.168020 -0.490389 1.533696
H -5.326303 -1.423746 0.130333
H -5.325482 -0.197363 1.414462
H 1.176490 0.072741 -1.193003
H 1.225224 1.142543 0.220188
H -6.522524 1.420011 -0.134989
H -6.528287 0.186704 -1.412846
H -7.902817 -0.103040 1.343084
H -7.904637 -1.339677 0.070519
H 4.749659 1.169467 -1.132023
H 3.001861 1.417565 -1.172081
H 5.478296 -0.339060 1.241596
H 4.501910 -1.822669 0.987496
H -9.138223 1.499964 -0.206646
H -10.060712 -0.013655 0.024150
H -9.141531 0.253682 -1.485366
H 4.835440 2.095849 1.221518
H 3.063646 2.416507 1.128849
H 6.611673 -1.875988 -0.284267
H 6.204719 -0.358514 -1.157990
H 4.327296 4.313765 0.351432
H 5.536145 -2.355519 -2.375291


