%chk=000013301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013301

0 1
 O   0.1752000       1.130800      0.8815000    
 O    2.076500      -2.566800      -1.201800    
 O   -2.336900      -2.666800      1.4900000E-02
 N    1.237900     -0.7376000     -1.7800000E-02
 N  -0.1086000      -2.612200     -0.5346000    
 C    2.467900     -9.8000001E-03 -0.2175000    
 C    2.235500       1.212500      -1.109500    
 C    3.078800      0.3903000       1.127700    
 C    3.513300       2.027800      -1.289800    
 C    4.354800       1.208100      0.9450000    
 C    4.121900       2.423900      5.2400000E-02
 C  -0.9496000     -0.9879000       1.059400    
 C   0.1814000     -7.3700003E-02  0.6250000    
 C   -2.224700     -0.1954000       1.343900    
 C    1.146900      -2.013100     -0.6087000    
 C   -2.845600      0.3473000      5.6899998E-02
 C   -1.230600      -2.142000      0.1262000    
 C   -4.139600       1.111100      0.3427000    
 C   -4.743000       1.682600     -0.9400000    
 C   -6.011500       2.470900     -0.6559000    
 H    3.203400     -0.6456000     -0.7257000    
 H    1.474500       1.897500     -0.7300000    
 H    1.877600      0.8844000      -2.093800    
 H    3.307800     -0.5101000       1.711500    
 H    2.388600      0.9792000       1.740600    
 H    3.299100       2.927100      -1.878500    
 H    4.242700       1.440500      -1.861300    
 H    5.133300      0.5747000      0.5020000    
 H    4.728200       1.533800       1.922500    
 H    5.070300       2.947400     -0.1126000    
 H    3.452400       3.127400      0.5626000    
 H  -0.6151000      -1.438200       2.004800    
 H   -2.019800      0.6306000       2.036000    
 H   -2.953300     -0.8448000       1.846300    
 H   -2.141000       1.020500     -0.4452000    
 H   -3.074100     -0.4522000     -0.6542000    
 H  -0.2265000      -3.469400      -1.067700    
 H   -4.863900      0.4426000      0.8239000    
 H   -3.935300       1.927400       1.046400    
 H   -4.016900       2.338800      -1.433700    
 H   -4.972800      0.8693000      -1.638200    
 H   -6.771500       1.836200     -0.1890000    
 H   -6.426800       2.869200      -1.586900    
 H   -5.808600       3.313100      1.3300000E-02


%chk=000013301-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013301

0 1
O 0.505707 0.555364 2.079946
O 1.443957 -2.052634 -1.707454
O -2.043581 -3.409502 1.014553
N 0.984531 -0.675942 0.151995
N -0.290427 -2.665352 -0.303642
C 2.130190 0.230888 -0.235121
C 1.643869 1.668381 -0.539716
C 3.275224 0.203263 0.806871
C 2.835666 2.530736 -1.024594
C 4.454136 1.077866 0.311547
C 3.993095 2.522483 0.002859
C -1.009333 -1.267867 1.604742
C 0.219539 -0.402290 1.311224
C -2.308486 -0.390151 1.512109
C 0.756642 -1.800006 -0.683645
C -2.601449 0.171266 0.103951
C -1.171422 -2.533673 0.778444
C -3.860605 1.067627 0.092186
C -4.173133 1.658795 -1.301542
C -5.420669 2.568536 -1.298796
H 2.512515 -0.208621 -1.174744
H 1.207677 2.116370 0.370667
H 0.854725 1.636060 -1.316098
H 3.611384 -0.840284 0.960715
H 2.907413 0.587091 1.774498
H 2.490956 3.566537 -1.206788
H 3.206292 2.140811 -1.995246
H 4.891049 0.630223 -0.605212
H 5.253763 1.084439 1.076518
H 4.843469 3.119795 -0.378587
H 3.652537 3.006043 0.941192
H -0.924175 -1.582429 2.662524
H -2.188826 0.439972 2.232402
H -3.151902 -1.019324 1.852027
H -1.735325 0.764641 -0.255514
H -2.741360 -0.660724 -0.616324
H -0.399104 -3.491675 -0.901463
H -4.733696 0.480710 0.445677
H -3.725931 1.895911 0.818528
H -3.294885 2.235077 -1.658027
H -4.317595 0.831237 -2.025520
H -6.318468 2.009673 -0.973832
H -5.624352 2.979528 -2.304481
H -5.287312 3.420550 -0.605728


