%chk=000068710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068710

0 1
 O   -4.225000      0.7402000      5.3500000E-02
 N   0.4376000     -0.3473000      0.8113000    
 N    3.206000     -1.6899999E-02  0.1902000    
 N   -5.879900     -0.8841000     -4.6900000E-02
 C   0.8463000      0.3417000     -0.4187000    
 C    1.402400      -1.405700       1.135000    
 C    2.228700      0.9793000     -0.2590000    
 C    2.802700     -0.8257000       1.347400    
 C  -0.9060000     -0.9058000      0.6646000    
 C    4.572200      0.2131000     -7.1999999E-03
 C   -1.917100      0.2076000      0.4096000    
 C    5.369800     -0.6598000     -0.7762000    
 C   -3.330800     -0.3418000      0.2740000    
 C    5.194100       1.340600      0.5669000    
 C    6.730300     -0.4152000     -0.9626000    
 C    4.761300      -1.870200      -1.406400    
 C    6.554600       1.585400      0.3804000    
 C    7.322600      0.7075000     -0.3843000    
 C   -5.548900      0.4249000     -0.1103000    
 C   -6.459300       1.446200     -0.3280000    
 C   -7.796500       1.101500     -0.4909000    
 C   -7.188700      -1.180700     -0.2100000    
 C   -8.176400     -0.2348000     -0.4322000    
 H   0.1841000       1.172400     -0.6737000    
 H   0.8557000     -0.3516000      -1.270500    
 H    1.435100      -2.158600      0.3357000    
 H    1.102300      -1.919900       2.056000    
 H    2.535100       1.401400      -1.224200    
 H    2.181400       1.803700      0.4639000    
 H    2.821400     -0.2028000       2.250900    
 H    3.504900      -1.653100       1.506300    
 H  -0.9439000      -1.642200     -0.1488000    
 H   -1.188200      -1.426900       1.588100    
 H   -1.889000      0.9499000       1.217700    
 H   -1.722100      0.7551000     -0.5173000    
 H   -3.606300     -0.8705000       1.195100    
 H   -3.369700      -1.040000     -0.5717000    
 H    4.615400       2.035700       1.171500    
 H    7.343600      -1.089700      -1.554100    
 H    5.455500      -2.359300      -2.098600    
 H    4.486200      -2.602300     -0.6407000    
 H    3.871700      -1.601100      -1.985700    
 H    7.016300       2.458800      0.8317000    
 H    8.382100      0.8978000     -0.5288000    
 H   -6.146600       2.483800     -0.3711000    
 H   -8.541100       1.872700     -0.6634000    
 H   -7.432900      -2.236500     -0.1556000    
 H   -9.212900     -0.5265000     -0.5565000    


%chk=000068710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068710

0 1
O -4.372343 0.726407 0.107257
N 0.425111 -0.416943 0.396730
N 3.270632 -0.055150 -0.043089
N -6.109213 -0.882701 0.002030
C 0.938642 0.510961 -0.641282
C 1.383344 -1.532992 0.600000
C 2.321981 1.060458 -0.248093
C 2.764994 -0.989144 0.995940
C -0.942900 -0.915465 0.113474
C 4.672805 0.239182 -0.051850
C -2.019012 0.188434 0.196041
C 5.621771 -0.793406 -0.359798
C -3.422265 -0.416546 0.119752
C 5.144650 1.562282 0.184984
C 6.998609 -0.463991 -0.373571
C 5.181773 -2.196027 -0.741403
C 6.521573 1.866143 0.149007
C 7.461381 0.846806 -0.117634
C -5.724513 0.417961 0.048288
C -6.632215 1.512331 0.040947
C -8.006084 1.220772 -0.017613
C -7.450989 -1.141656 -0.054309
C -8.434365 -0.132987 -0.066506
H 0.239949 1.359447 -0.747272
H 1.020884 0.001767 -1.636338
H 1.493883 -2.155848 -0.325329
H 1.000442 -2.183806 1.408692
H 2.699889 1.708528 -1.058662
H 2.203906 1.680438 0.672798
H 2.678294 -0.463696 1.975859
H 3.471251 -1.823910 1.123146
H -0.999757 -1.416969 -0.889343
H -1.169602 -1.692206 0.871135
H -1.896249 0.739670 1.145818
H -1.907534 0.916764 -0.628397
H -3.649776 -1.063070 0.987834
H -3.572531 -1.017472 -0.797381
H 4.429767 2.358034 0.417768
H 7.720829 -1.252904 -0.619946
H 5.916270 -2.659609 -1.423161
H 5.088035 -2.867430 0.135562
H 4.197926 -2.168661 -1.243867
H 6.856391 2.892395 0.339624
H 8.533685 1.069093 -0.144247
H -6.249459 2.535209 0.080674
H -8.737874 2.035562 -0.025018
H -7.728588 -2.201328 -0.090460
H -9.495296 -0.394427 -0.112393


