%chk=000086271.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086271

0 1
 N   -2.443800      0.3260000      0.6635000    
 N    1.590100      -2.325500      0.2751000    
 C    3.182900      4.3800000E-02 -0.1756000    
 C    1.706300      0.1013000      4.6399999E-02
 C   -3.411700     -0.3302000     -0.1975000    
 C   -1.079200      0.2643000      0.4596000    
 C   0.9640000      -1.059800      0.2616000    
 C    3.775500       1.469700     -0.3912000    
 C    3.530400     -0.8078000      -1.434600    
 C    4.010900     -0.5814000      0.9942000    
 C    1.071400       1.343300      3.5399999E-02
 C  -0.3060000       1.424100      0.2398000    
 C  -0.4135000     -0.9790000      0.4659000    
 C   -4.708800      0.4836000     -0.1919000    
 C   -2.834300     -0.3992000      -1.613100    
 C   -3.673600      -1.740300      0.3392000    
 C  -0.9605000       2.767100      0.2231000    
 H   -2.773600       1.152800       1.152400    
 H    1.588900       2.281300     -0.1231000    
 H    4.858300       1.411000     -0.5639000    
 H    3.361100       1.962500      -1.278900    
 H    3.645100       2.113100      0.4873000    
 H    2.940300     -0.4706000      -2.296000    
 H    4.586100     -0.6717000      -1.702900    
 H    3.389500      -1.884300      -1.351000    
 H    5.086400     -0.5055000      0.7909000    
 H    3.816800     -2.7700000E-02   1.921400    
 H    3.818000      -1.629500       1.215600    
 H  -0.9559000      -1.895200      0.6713000    
 H   -4.535800       1.506600     -0.5465000    
 H   -5.468200      2.9200001E-02 -0.8378000    
 H   -5.127000      0.5557000      0.8189000    
 H   -1.978600      -1.075000      -1.707600    
 H   -2.531500      0.5891000      -1.979400    
 H   -3.592800     -0.7770000      -2.310200    
 H   -3.853100      -1.730300       1.420400    
 H   -4.561300      -2.173000     -0.1378000    
 H   -2.857500      -2.438200      0.1399000    
 H  -0.2651000       3.559300     -7.4800000E-02
 H   -1.788400       2.786000     -0.4938000    
 H   -1.338000       3.019100       1.219500    
 H    2.573300      -2.490800      0.1880000    
 H    1.004400      -3.138100      0.4273000    


%chk=000086271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086271

0 1
N -2.449360 0.571898 -0.058315
N 1.491976 -2.314872 -0.365875
C 3.394578 0.065039 -0.068431
C 1.843520 0.142619 -0.068573
C -3.542844 -0.420629 -0.217722
C -1.057348 0.392379 -0.065236
C 0.995644 -1.007664 -0.213681
C 4.047985 1.466253 0.095486
C 3.924053 -0.501781 -1.426235
C 3.910232 -0.793957 1.131698
C 1.171628 1.383616 0.078832
C -0.226737 1.554449 0.088356
C -0.419711 -0.864753 -0.211448
C -4.864246 0.389762 -0.139612
C -3.481378 -1.122414 -1.605597
C -3.540775 -1.462033 0.938659
C -0.840039 2.934323 0.256637
H -2.761063 1.536739 0.044895
H 1.771908 2.291638 0.194641
H 5.148803 1.358751 0.087707
H 3.771235 2.146887 -0.730321
H 3.763700 1.941717 1.051963
H 3.646759 0.180698 -2.250300
H 5.027840 -0.585524 -1.402735
H 3.512876 -1.493363 -1.682602
H 5.014137 -0.872912 1.101624
H 3.623597 -0.314655 2.085574
H 3.498323 -1.818074 1.154815
H -1.014677 -1.775244 -0.326809
H -4.915576 1.140699 -0.950777
H -5.733228 -0.282469 -0.243429
H -4.950032 0.910926 0.832728
H -2.544289 -1.685750 -1.745861
H -3.542192 -0.370056 -2.412414
H -4.326457 -1.826916 -1.716693
H -3.655578 -0.948262 1.909915
H -4.377966 -2.174117 0.815895
H -2.602588 -2.039208 0.976677
H -0.051684 3.698262 0.367142
H -1.459568 3.233218 -0.615788
H -1.485940 3.004017 1.157756
H 2.482533 -2.518613 -0.353997
H 0.843451 -3.091826 -0.449449


