%chk=000013451.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013451

0 1
 O   0.1490000       1.706900     -0.2538000    
 N   -1.319000     -7.3299997E-02 -0.3942000    
 N   0.9237000     -0.5078000     -0.1780000    
 C   -2.526300      0.7140000     -0.5107000    
 C   -3.569000     -1.4000000E-03  -1.376200    
 C   -3.093700       1.060400      0.8700000    
 C   -4.182900      -1.211400     -0.6720000    
 C   -3.708300     -0.1514000       1.570600    
 C   -4.750500     -0.8395000      0.6944000    
 C  -4.6300001E-02  0.4940000     -0.2718000    
 C    2.323000     -0.3512000     -4.3299999E-02
 C    3.127300      -1.476600      3.3700000E-02
 C    2.860700      0.9244000      7.8999996E-03
 C    4.507400      -1.322100      0.1655000    
 C    4.240700       1.079100      0.1396000    
 C    5.064000     -4.4199999E-02  0.2185000    
 H   -2.255000       1.651700      -1.011400    
 H   -3.121400     -0.3217000      -2.324800    
 H   -4.370800      0.7054000      -1.625500    
 H   -3.868600       1.828900      0.7531000    
 H   -2.314700       1.492200       1.509600    
 H   -3.431100      -2.000600     -0.5549000    
 H   -4.980600      -1.629700      -1.296600    
 H   -4.172000      0.1659000       2.511600    
 H   -2.919500     -0.8671000       1.832100    
 H   -5.611500     -0.1729000      0.5616000    
 H   -5.119700      -1.740000       1.198000    
 H   -1.400100      -1.082800     -0.3250000    
 H   0.5914000      -1.468400     -0.2109000    
 H    2.704000      -2.476400     -6.8000001E-03
 H    2.292400       1.840900     -4.6399999E-02
 H    5.148500      -2.196600      0.2268000    
 H    4.675700       2.073600      0.1810000    
 H    6.138500      7.6200001E-02  0.3211000    


%chk=000013451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013451

0 1
O 0.081259 1.649958 -0.218421
N -1.348479 -0.167532 -0.518063
N 0.952424 -0.552292 -0.282345
C -2.557784 0.684418 -0.599011
C -3.666277 -0.050928 -1.391496
C -3.066573 1.100718 0.809123
C -4.276510 -1.240858 -0.606934
C -3.662059 -0.091927 1.592571
C -4.782394 -0.793451 0.786226
C -0.089514 0.396707 -0.327673
C 2.339276 -0.319748 -0.073968
C 3.194659 -1.456960 -0.063641
C 2.895564 0.974132 0.120560
C 4.581382 -1.307037 0.137989
C 4.286489 1.105105 0.322309
C 5.139767 -0.022246 0.333335
H -2.252376 1.597908 -1.141474
H -3.269855 -0.384403 -2.370034
H -4.470546 0.681321 -1.601456
H -3.845047 1.880024 0.676235
H -2.233540 1.568481 1.363982
H -3.524540 -2.050297 -0.479569
H -5.103058 -1.685886 -1.193380
H -4.054219 0.256480 2.567094
H -2.858993 -0.823117 1.820752
H -5.628495 -0.087763 0.652236
H -5.176028 -1.662747 1.347673
H -1.473528 -1.180394 -0.541360
H 0.698879 -1.531926 -0.426671
H 2.771599 -2.459681 -0.213706
H 2.236616 1.843853 0.108127
H 5.224292 -2.194513 0.142336
H 4.705766 2.106856 0.471507
H 6.217145 0.096245 0.489946


