%chk=000028967.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028967

0 1
 N    3.496600       2.039100     -0.9679000    
 N   -3.495200       2.044900      0.9587000    
 C   0.7586000     -0.4093000      0.1036000    
 C  -0.7586000     -0.4092000     -0.1035000    
 C    1.388500      0.8471000     -0.5457000    
 C   -1.387900      0.8500000      0.5410000    
 C    2.919200      0.8518000     -0.3399000    
 C   -2.918500      0.8547000      0.3351000    
 C    1.386800      -1.667400     -0.5404000    
 C    1.092900     -0.4062000       1.613800    
 C   -1.387600      -1.664500      0.5453000    
 C   -1.093000     -0.4118000      -1.613700    
 C    2.910600      -1.674100     -0.3322000    
 C    2.616100     -0.4104000       1.827500    
 C   -2.911500      -1.671200      0.3371000    
 C   -2.616100     -0.4158000      -1.827400    
 C    3.517300     -0.4181000     -0.9817000    
 C    3.223800      0.8430000       1.174200    
 C   -3.517300     -0.4123000      0.9817000    
 C   -3.223100      0.8404000      -1.178900    
 C    3.217000      -1.665400       1.174200    
 C   -3.217700      -1.668200      -1.169400    
 C    4.939400       2.068700     -0.7851000    
 C   -4.940300       2.064300      0.7935000    
 H    1.197400      0.8862000      -1.623200    
 H   0.9952000       1.772400     -0.1125000    
 H   -1.198500      0.8944000       1.618600    
 H  -0.9921000       1.772400      0.1036000    
 H    1.210200      -1.714700      -1.619000    
 H    1.000300      -2.594200     -0.1061000    
 H   0.6945000      -1.284800       2.129700    
 H   0.7007000      0.4778000       2.125200    
 H   -1.211100      -1.707600       1.624100    
 H   -1.001600      -2.593100      0.1147000    
 H  -0.6951000      -1.292600      -2.126300    
 H  -0.7004000      0.4699000      -2.128700    
 H    3.342100      -2.571400     -0.7906000    
 H    2.838500     -0.4114000       2.900800    
 H   -3.343400      -2.566400      0.7990000    
 H   -2.838500     -0.4208000      -2.900700    
 H    4.601200     -0.4929000     -0.8453000    
 H    3.327700     -0.4338000      -2.063100    
 H    2.821400       1.744400       1.654800    
 H    4.296900      0.8164000       1.390300    
 H   -4.601200     -0.4869000      0.8443000    
 H   -3.328300     -0.4226000       2.063300    
 H   -2.819400       1.738900      -1.663800    
 H   -4.296000      0.8149000      -1.395400    
 H    2.805400      -2.566500       1.645400    
 H    4.301600      -1.690100       1.336600    
 H   -2.806600      -2.571300      -1.637000    
 H   -4.302300      -1.692800      -1.331600    
 H    3.284200       2.041100      -1.965300    
 H   -3.097800       2.882500      0.5338000    
 H    5.480200       1.258400      -1.278900    
 H    5.260600       2.167800      0.2540000    
 H    5.303200       2.983400      -1.270100    
 H   -5.284200       2.125200     -0.2410000    
 H   -5.302500       2.987200       1.263800    
 H   -5.463600       1.267200       1.326300    


%chk=000028967-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028967

0 1
N 3.541565 1.987552 -1.049988
N -3.541802 1.966269 1.073555
C 0.790784 -0.457660 0.122930
C -0.790161 -0.455433 -0.143758
C 1.492983 0.737765 -0.596497
C -1.486323 0.751081 0.562500
C 3.029926 0.771846 -0.355141
C -3.022591 0.791621 0.317845
C 1.454127 -1.775519 -0.395735
C 1.119394 -0.335730 1.646736
C -1.462931 -1.757384 0.401672
C -1.117038 -0.363928 -1.670349
C 2.987958 -1.769491 -0.158705
C 2.651950 -0.341530 1.894019
C -2.996636 -1.741494 0.165268
C -2.649341 -0.368392 -1.922129
C 3.634365 -0.564688 -0.890750
C 3.298537 0.867615 1.169399
C -3.637244 -0.520359 0.873367
C -3.286382 0.859598 -1.219060
C 3.270314 -1.659442 1.361612
C -3.277460 -1.667661 -1.357852
C 4.991088 2.264631 -1.009522
C -4.990408 2.246104 1.036998
H 1.325271 0.672127 -1.691339
H 1.074329 1.705215 -0.258906
H -1.336043 0.707289 1.656591
H -1.043298 1.706727 0.209726
H 1.249425 -1.907474 -1.476885
H 1.022470 -2.650361 0.126600
H 0.653592 -1.169872 2.207893
H 0.703099 0.605142 2.053263
H -1.258471 -1.867864 1.484837
H -1.039640 -2.646185 -0.104093
H -0.652800 -1.210402 -2.214351
H -0.697129 0.567751 -2.095674
H 3.416656 -2.714225 -0.550355
H 2.840353 -0.255344 2.982929
H -3.433721 -2.672380 0.579219
H -2.835135 -0.307568 -3.013646
H 4.732215 -0.576828 -0.738849
H 3.451387 -0.636259 -1.983553
H 2.882019 1.822175 1.545603
H 4.388457 0.879629 1.370167
H -4.733383 -0.534422 0.711425
H -3.462773 -0.559071 1.966192
H -2.853604 1.798428 -1.624054
H -4.376534 0.886706 -1.418410
H 2.833296 -2.528072 1.894042
H 4.362691 -1.673701 1.551013
H -2.847105 -2.552987 -1.867814
H -4.369780 -1.678102 -1.547755
H 3.180912 2.021064 -2.014536
H -2.989460 2.806037 0.848628
H 5.644765 1.455235 -1.414521
H 5.311071 2.464641 0.028383
H 5.192258 3.181895 -1.592252
H -5.424599 2.393614 0.018946
H -5.188272 3.162625 1.621944
H -5.548497 1.426148 1.522773


