%chk=000069048.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069048

0 1
 N    5.569600      0.1656000     -0.4416000    
 N   -2.672100      -4.813100     -0.4320000    
 N   -2.954300       4.644400     -0.4418000    
 C   4.5299999E-02  2.4000001E-03  0.9173000    
 C    1.492900      4.5699999E-02  0.5616000    
 C  -0.6921000      -1.305700      0.5514000    
 C  -0.7699000       1.262600      0.5487000    
 C    2.437400     -0.5289000       1.411800    
 C   -1.675300      -1.747400       1.394600    
 C  -0.7695000       2.309400       1.430000    
 C    1.902000      0.6602000     -0.6220000    
 C  -0.3234000      -1.952200     -0.5972000    
 C   -1.448000       1.265000     -0.6402000    
 C    4.200700      0.1252000     -0.1048000    
 C   -1.998600      -3.619900     -9.7599998E-02
 C   -2.211100       3.494000     -0.1050000    
 C    3.791400     -0.4890000       1.078700    
 C   -2.341400      -2.927500       1.063800    
 C   -1.504500       3.447200       1.096800    
 C    3.256000      0.7000000     -0.9552000    
 C  -0.9895000      -3.132200     -0.9282000    
 C   -2.183000       2.402800     -0.9735000    
 C    6.463600     -0.8897000     -8.1000002E-03
 C    6.097800       1.255700      -1.237600    
 C   -4.051500      -5.013500     -3.4600001E-02
 C   -1.998000      -5.848800      -1.189500    
 C   -2.536000       5.951200      2.5100000E-02
 C   -4.138400       4.536500      -1.270800    
 H   3.6899999E-02 -5.0000002E-04   2.021200    
 H    2.134300      -1.011600       2.337300    
 H   -1.946500      -1.213600       2.299600    
 H  -0.2214000       2.279700       2.365900    
 H    1.198200       1.103200      -1.318600    
 H   0.4429000      -1.591400      -1.272400    
 H   -1.429200      0.4440000      -1.346600    
 H    4.501900     -0.9359000       1.768200    
 H   -3.114200      -3.285700       1.738000    
 H   -1.514500       4.274700       1.800500    
 H    3.539600       1.172400      -1.891500    
 H  -0.7089000      -3.638500      -1.847500    
 H   -2.708500       2.413000      -1.924300    
 H    6.003400      -1.877600     -0.1230000    
 H    7.382700     -0.8995000     -0.6048000    
 H    6.752800     -0.7479000       1.038500    
 H    5.879300       1.102200      -2.299600    
 H    5.685300       2.220500     -0.9214000    
 H    7.186100       1.330000      -1.132700    
 H   -4.112800      -5.314400       1.016500    
 H   -4.524200      -5.802300     -0.6306000    
 H   -4.647800      -4.106200     -0.1839000    
 H  -0.9698000      -5.997000     -0.8404000    
 H   -1.983100      -5.602000      -2.256300    
 H   -2.508300      -6.812500      -1.081500    
 H   -1.450800       6.078900     -5.9500001E-02
 H   -2.835400       6.105200       1.067000    
 H   -2.993900       6.749200     -0.5702000    
 H   -3.865600       4.448700      -2.327600    
 H   -4.774900       5.422500      -1.167500    
 H   -4.751600       3.674300     -0.9850000    


%chk=000069048-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000069048

0 1
N 5.634972 0.149566 -0.482259
N -2.712564 -4.924617 -0.470033
N -2.947037 4.775855 -0.501293
C 0.012485 -0.000731 1.067874
C 1.489409 0.074524 0.642087
C -0.664517 -1.318627 0.650027
C -0.795380 1.237458 0.641337
C 2.467775 -0.652574 1.367040
C -1.792098 -1.785762 1.372026
C -0.693145 2.439730 1.385546
C 1.937225 0.825378 -0.470891
C -0.241036 -2.091958 -0.456995
C -1.633972 1.253990 -0.499041
C 4.279917 0.122205 -0.116781
C -2.044320 -3.745208 -0.105109
C -2.239978 3.621288 -0.130855
C 3.828592 -0.637538 1.009442
C -2.472173 -2.964736 1.016332
C -1.392303 3.606047 1.022386
C 3.295181 0.855216 -0.849429
C -0.906979 -3.276789 -0.833633
C -2.341826 2.410514 -0.884689
C 6.619568 -0.606706 0.296544
C 6.064199 0.939433 -1.639655
C -3.884537 -5.367339 0.290082
C -2.243918 -5.705911 -1.618180
C -2.834457 5.994660 0.304596
C -3.823715 4.750617 -1.675357
H 0.014586 0.003186 2.179517
H 2.153926 -1.252619 2.231496
H -2.152894 -1.205396 2.231486
H -0.045250 2.465820 2.271761
H 1.213456 1.413712 -1.046425
H 0.636156 -1.769200 -1.029510
H -1.750681 0.338280 -1.090131
H 4.539690 -1.214170 1.608403
H -3.333822 -3.278750 1.612921
H -1.280160 4.502864 1.639070
H 3.586011 1.458456 -1.714540
H -0.534908 -3.838307 -1.695717
H -2.979800 2.364243 -1.772451
H 6.402470 -1.695515 0.295399
H 7.621488 -0.462611 -0.138917
H 6.657854 -0.272245 1.354510
H 5.572896 0.602731 -2.576525
H 5.839979 2.019417 -1.512365
H 7.152943 0.834264 -1.773103
H -3.638089 -5.571231 1.353190
H -4.276922 -6.298717 -0.148973
H -4.699728 -4.613927 0.271582
H -1.197674 -6.051723 -1.483673
H -2.286408 -5.124362 -2.563220
H -2.880704 -6.596891 -1.740554
H -1.789048 6.364728 0.351672
H -3.183587 5.838754 1.347189
H -3.452906 6.789146 -0.143168
H -3.264296 4.515001 -2.604735
H -4.292703 5.739223 -1.805579
H -4.635145 3.999757 -1.571826


