%chk=000059018.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059018

0 1
 O   -4.143600       2.585000     -0.3413000    
 O   -5.157900      0.8383000      0.5186000    
 N    2.434400     -0.4485000     -0.3354000    
 N   -1.424100      -2.714300      0.5048000    
 N   -4.139500       1.388800      3.5700001E-02
 C    2.445300     -0.4235000       1.131200    
 C    3.743700     -0.2273000     -0.9513000    
 C    3.275200      0.6711000       1.809100    
 C    3.962600       1.262300      -1.231100    
 C    3.226600       2.029500       1.117300    
 C    4.248200       2.134500     -1.2400000E-02
 C    1.827200      -1.694700     -0.8067000    
 C   0.4079000      -1.843600     -0.3269000    
 C  -0.5725000     -0.8362000     -0.3464000    
 C   -1.728800      -1.410100      0.1862000    
 C  -0.1186000      -2.983900      0.1929000    
 C  -0.6120000      0.5105000     -0.7592000    
 C   -2.927500     -0.7018000      0.3274000    
 C   -1.804000       1.231400     -0.6240000    
 C   -2.942700      0.6326000     -8.8799998E-02
 H    2.798000      -1.384400       1.531100    
 H    1.422200     -0.2919000       1.501900    
 H    3.788400     -0.7250000      -1.929300    
 H    4.562100     -0.6559000     -0.3600000    
 H    4.316500      0.3396000       1.907600    
 H    2.899600      0.7871000       2.834000    
 H    3.091400       1.664700      -1.765000    
 H    4.809100       1.362600      -1.922600    
 H    3.474500       2.798700       1.859500    
 H    2.216700       2.255400      0.7563000    
 H    4.295300       3.179300     -0.3436000    
 H    5.246300       1.893900      0.3751000    
 H    2.427600      -2.563100     -0.5040000    
 H    1.787900      -1.699900      -1.904400    
 H   0.2998000      -3.963900      0.3748000    
 H   -2.071200      -3.376200      0.9103000    
 H   0.2579000      0.9982000      -1.188800    
 H   -3.797300      -1.196600      0.7478000    
 H   -1.801600       2.267800     -0.9540000    


%chk=000059018-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059018

0 1
O -4.219267 2.656978 -0.563786
O -5.309132 0.870734 0.344948
N 2.549791 -0.536660 -0.231905
N -1.534545 -2.712864 0.568757
N -4.245769 1.436821 -0.134070
C 2.685727 -0.573350 1.244311
C 3.774432 -0.174687 -0.993638
C 3.509694 0.588035 1.848302
C 3.863137 1.347403 -1.265428
C 3.269381 1.976566 1.201464
C 4.173306 2.226450 -0.032003
C 1.839919 -1.733044 -0.750256
C 0.415893 -1.836266 -0.256066
C -0.612782 -0.818728 -0.326684
C -1.829160 -1.395465 0.197450
C -0.186374 -2.969972 0.296731
C -0.627204 0.531053 -0.775794
C -3.036479 -0.682541 0.274261
C -1.821629 1.262275 -0.712621
C -3.000152 0.648467 -0.192957
H 3.143116 -1.541481 1.582390
H 1.661575 -0.548446 1.664158
H 3.735970 -0.695529 -1.969756
H 4.703139 -0.529612 -0.487602
H 4.592628 0.357978 1.790655
H 3.264882 0.626398 2.927932
H 2.894447 1.655732 -1.705892
H 4.642661 1.527514 -2.035246
H 3.484070 2.762977 1.951939
H 2.202733 2.081673 0.921950
H 4.098278 3.290722 -0.333449
H 5.228312 2.064679 0.275384
H 2.373960 -2.687258 -0.496216
H 1.832986 -1.657745 -1.855560
H 0.253498 -3.942648 0.511388
H -2.193674 -3.374061 0.973704
H 0.295933 0.983563 -1.147946
H -3.970196 -1.095766 0.664962
H -1.880006 2.300606 -1.047410


