%chk=000027390.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027390

0 1
 O    4.841500      0.9582000       1.256500    
 O   -1.583200      -1.696400       1.295700    
 N   0.4077000      -1.505900     -0.6112000    
 N  -0.8025000     -0.8417000     -0.7153000    
 C    1.508000     -0.5422000     -0.6396000    
 C    1.406600      0.3895000      0.5739000    
 C    2.846900      -1.288400     -0.6301000    
 C    2.563000       1.390800      0.6578000    
 C    4.033100     -0.3187000     -0.6355000    
 C    3.898400      0.6737000      0.5174000    
 C    2.459400       2.509700     -0.3736000    
 C    5.350900      -1.085800     -0.5629000    
 C   -1.735800      -1.002100      0.2937000    
 C   -3.018300     -0.2754000      0.1039000    
 C   -4.160200     -0.7760000      0.6934000    
 C   -3.024900      0.8754000     -0.6559000    
 C   -5.363900     -9.4300002E-02  0.5149000    
 C   -4.228600       1.557100     -0.8344000    
 C   -5.398100       1.072400     -0.2489000    
 H    1.445900      4.4500001E-02  -1.565800    
 H    1.408000     -0.2151000       1.492100    
 H   0.4650000      0.9520000      0.5733000    
 H    2.911900      -1.947200      -1.505800    
 H    2.903000      -1.933900      0.2576000    
 H    2.539000       1.845600       1.656500    
 H    4.028100      0.2628000      -1.565300    
 H    1.525100       3.066600     -0.2491000    
 H    3.290100       3.215000     -0.2597000    
 H    2.494700       2.133000      -1.400400    
 H    5.431800      -1.652400      0.3715000    
 H    5.440300      -1.788400      -1.397800    
 H    6.204400     -0.4004000     -0.6086000    
 H   0.4755000      -2.127400      -1.416500    
 H  -0.9794000     -0.3296000      -1.573200    
 H   -4.151500      -1.685400       1.286600    
 H   -2.131600       1.302700      -1.099600    
 H   -6.274900     -0.4721000      0.9700000    
 H   -4.254500       2.469800      -1.422700    
 H   -6.335100       1.604100     -0.3865000    


%chk=000027390-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027390

0 1
O 5.006162 0.848097 1.307555
O -1.589155 -1.624660 1.383385
N 0.422372 -1.439773 -0.621073
N -0.869800 -0.898821 -0.731262
C 1.544916 -0.471784 -0.632970
C 1.485539 0.431354 0.618799
C 2.864535 -1.272490 -0.645287
C 2.698496 1.396875 0.723026
C 4.110832 -0.341306 -0.641450
C 4.027683 0.645547 0.539892
C 2.620102 2.580679 -0.285935
C 5.432295 -1.130355 -0.651909
C -1.797881 -0.984028 0.316315
C -3.101464 -0.262676 0.052567
C -4.253627 -0.734709 0.731824
C -3.212288 0.872900 -0.793329
C -5.500560 -0.102403 0.548590
C -4.460932 1.509561 -0.971730
C -5.609029 1.019133 -0.308109
H 1.514890 0.170439 -1.550898
H 1.445945 -0.233563 1.502156
H 0.549355 1.021687 0.621663
H 2.913571 -1.927096 -1.539882
H 2.885717 -1.932083 0.244427
H 2.725850 1.828490 1.741057
H 4.056948 0.281385 -1.563348
H 1.697662 3.162226 -0.104747
H 3.481754 3.260370 -0.160539
H 2.603199 2.239389 -1.336805
H 5.514734 -1.765453 0.247902
H 5.490483 -1.778755 -1.545289
H 6.299820 -0.449606 -0.649424
H 0.557983 -2.267973 -1.214296
H -1.154305 -0.439052 -1.606308
H -4.141676 -1.590719 1.405335
H -2.326268 1.295755 -1.283029
H -6.385387 -0.478125 1.073865
H -4.535885 2.392134 -1.616571
H -6.576787 1.513509 -0.447768


