%chk=000022679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022679

0 1
 N   -1.396500       1.358200       1.198000    
 N    1.440900       1.370800      -1.200800    
 C   -2.861800       1.362100       1.032500    
 C    2.887600       1.370700      -1.033800    
 C  -0.7438000       1.372800     -9.7000003E-02
 C   0.7678000       1.383900      9.2000000E-02
 C   -3.348300      0.1827000      0.2600000    
 C    3.355400      0.1606000     -0.2500000    
 C   -3.516900       1.470400       2.421500    
 C    3.566000       1.456300      -2.403000    
 C   -2.690400      -1.042300      0.3694000    
 C    2.672100      -1.034200     -0.3851000    
 C   -4.461700      0.3045000     -0.5716000    
 C    4.454300      0.2803000      0.5810000    
 C   -3.145400      -2.145500     -0.3528000    
 C    3.102600      -2.147900      0.3360000    
 C   -4.916800     -0.7987000      -1.293700    
 C    4.884800     -0.8335000       1.302000    
 C   -4.258600      -2.023700      -1.184200    
 C    4.208900      -2.047600       1.179400    
 H   -3.127900       2.278700      0.4872000    
 H    3.165600       2.278100     -0.4796000    
 H  -0.9891000      0.5083000     -0.7211000    
 H   -1.040700       2.270100     -0.6563000    
 H    1.052300       2.290500      0.6433000    
 H    1.024000      0.5312000      0.7276000    
 H   -1.112000       2.173800       1.740000    
 H    1.153000       2.182200      -1.747200    
 H   -4.607900       1.523600       2.333600    
 H   -3.180500       2.371300       2.946500    
 H   -3.277300      0.6022000       3.046500    
 H    4.656200       1.493900      -2.297900    
 H    3.253600       2.357800      -2.941900    
 H    3.325600      0.5881000      -3.027900    
 H   -1.836800      -1.180700       1.027600    
 H    1.825400      -1.154200      -1.054300    
 H   -4.985000       1.252500     -0.6646000    
 H    4.988000       1.220700      0.6813000    
 H   -2.636800      -3.101000     -0.2633000    
 H    2.580500      -3.095000      0.2360000    
 H   -5.784100     -0.7043000      -1.940500    
 H    5.746800     -0.7558000       1.958100    
 H   -4.614100      -2.883000      -1.745300    
 H    4.545100      -2.915200       1.739600    


%chk=000022679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022679

0 1
N -1.597696 1.619260 0.996662
N 1.614607 1.610783 -0.989757
C -3.054336 1.538511 0.744095
C 3.070741 1.517184 -0.737848
C -0.733898 1.580421 -0.199443
C 0.750753 1.573594 0.206415
C -3.459582 0.141990 0.253382
C 3.464529 0.115556 -0.252606
C -3.805667 1.886066 2.053080
C 3.824448 1.863581 -2.045782
C -2.832612 -1.016731 0.775838
C 2.827704 -1.035909 -0.779239
C -4.508073 -0.011361 -0.686165
C 4.511934 -0.050079 0.686045
C -3.250975 -2.303327 0.370803
C 3.235524 -2.327460 -0.379268
C -4.932195 -1.297989 -1.091668
C 4.925545 -1.341744 1.086433
C -4.304944 -2.449532 -0.562517
C 4.288612 -2.485978 0.553067
H -3.376014 2.273371 -0.038851
H 3.398541 2.246390 0.047796
H -0.954188 0.658711 -0.766668
H -0.926053 2.439338 -0.896372
H 0.949847 2.427860 0.907099
H 0.963789 0.647620 0.769451
H -1.365399 2.409827 1.612842
H 1.388750 2.406228 -1.602091
H -4.896884 1.811411 1.908384
H -3.570444 2.916849 2.382899
H -3.512105 1.184211 2.853835
H 4.915046 1.778804 -1.901998
H 3.598066 2.897705 -2.371265
H 3.524384 1.167570 -2.849231
H -2.006791 -0.884874 1.484157
H 2.002619 -0.894501 -1.486571
H -4.992247 0.880241 -1.106178
H 5.003611 0.835839 1.109348
H -2.755300 -3.191967 0.778920
H 2.732345 -3.210409 -0.790544
H -5.743607 -1.401937 -1.821427
H 5.736251 -1.455208 1.815561
H -4.628742 -3.447946 -0.878317
H 4.604204 -3.488262 0.864892


