%chk=000058099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058099

0 1
 O    5.102700      -1.091400       1.086400    
 O   -3.171100       1.196900      0.5199000    
 O   -1.524000      -2.232700     -0.9135000    
 N    3.022400      0.1135000     -0.4376000    
 C    2.959100      4.3699998E-02   1.029000    
 C    4.423200      0.1572000     -0.8795000    
 C    2.285200       1.273400     -0.9343000    
 C    3.745500      -1.166500       1.524600    
 C    5.174400      -1.056400     -0.3395000    
 C   0.8430000       1.235000     -0.5543000    
 C   0.1165000      5.2000001E-02 -0.6952000    
 C   -1.234300      2.4599999E-02 -0.3374000    
 C   0.2232000       2.382600     -5.9599999E-02
 C   -1.852800       1.167400      0.1560000    
 C   -1.125300       2.350000      0.2959000    
 C   -2.025600      -1.205800     -0.4733000    
 C   -3.455200      -1.136700     -5.3399999E-02
 C   -3.929600      4.0399998E-02  0.4035000    
 C   -4.225700      -2.419700     -0.1640000    
 C   -5.351700      0.2725000      0.8263000    
 H    1.935400     -6.1000001E-02   1.401600    
 H    3.385200      0.9551000       1.469600    
 H    4.908000       1.074500     -0.5205000    
 H    4.477300      0.1502000      -1.974100    
 H    2.333400       1.301700      -2.030900    
 H    2.750700       2.201500     -0.5756000    
 H    3.751200      -1.184700       2.619200    
 H    3.300300      -2.107700       1.179400    
 H    4.777500      -1.993300     -0.7492000    
 H    6.231300     -0.9947000     -0.6179000    
 H   0.5925000     -0.8403000      -1.093500    
 H   0.7776000       3.310500      5.3599998E-02
 H   -1.601200       3.248200      0.6802000    
 H   -4.418400      -2.654800      -1.215700    
 H   -5.184000      -2.393200      0.3602000    
 H   -3.658000      -3.247100      0.2759000    
 H   -5.682300       1.267400      0.5072000    
 H   -5.432600      0.2215000       1.916500    
 H   -6.053300     -0.4408000      0.3868000    


%chk=000058099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058099

0 1
O 5.198922 -1.378028 0.868708
O -3.321559 1.232267 0.333663
O -1.364105 -2.346436 -0.559553
N 3.080768 0.229322 -0.291454
C 3.200878 0.062899 1.179784
C 4.411072 0.129164 -0.941534
C 2.336945 1.445679 -0.677431
C 3.870470 -1.282408 1.499601
C 5.062405 -1.218676 -0.588619
C 0.842560 1.354418 -0.376046
C 0.160460 0.125956 -0.454189
C -1.236058 0.045062 -0.218685
C 0.106170 2.530640 -0.051957
C -1.936328 1.237860 0.091417
C -1.280110 2.483800 0.177841
C -1.962512 -1.250082 -0.290395
C -3.420019 -1.187504 -0.029045
C -4.027759 0.017177 0.264925
C -4.198810 -2.486406 -0.096153
C -5.482466 0.252872 0.555581
H 2.191693 0.087837 1.630090
H 3.802536 0.892281 1.631361
H 5.093260 0.956299 -0.618909
H 4.281900 0.198987 -2.038785
H 2.473437 1.579701 -1.770155
H 2.751493 2.368524 -0.194744
H 4.049894 -1.391562 2.581737
H 3.224354 -2.112098 1.141205
H 4.446015 -2.046910 -0.999879
H 6.087300 -1.282328 -0.990284
H 0.706158 -0.792914 -0.690694
H 0.630670 3.491129 0.022372
H -1.855860 3.379743 0.427178
H -4.971489 -2.467332 -0.886717
H -4.697645 -2.723543 0.861414
H -3.490654 -3.299116 -0.327439
H -5.904353 0.987435 -0.154575
H -5.612016 0.670674 1.571048
H -6.057117 -0.681384 0.482114


