%chk=000093533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093533

0 1
 N    2.802100      0.8554000      0.5815000    
 N   -2.668500       1.348200     -0.5604000    
 C    3.425400     -0.3877000      0.9909000    
 C   -3.593000      0.2368000     -0.4767000    
 C    4.771000     -0.8246000      -1.147900    
 C   -5.037500      -1.087700       1.168100    
 C    3.640600      -1.301000     -0.2207000    
 C   -3.964100     -2.9000000E-03  0.9902000    
 C    4.732900     -9.6799999E-02   1.730600    
 C   -4.831700      0.5353000      -1.323500    
 C    6.064400     -0.5863000     -0.3596000    
 C   -6.256400     -0.8003000      0.2793000    
 C    5.846800      0.3805000      0.8006000    
 C   -5.888400     -0.5566000      -1.183100    
 C    5.004500      -1.834200      -2.271400    
 C   -4.473100      -2.488900      0.9184000    
 C    1.453400      0.9775000      0.3030000    
 C   -1.293800       1.224600     -0.2715000    
 C   0.9030000       2.213500     -8.9299999E-02
 C  -0.4570000       2.336000     -0.3736000    
 C   0.5896000     -0.1315000      0.3998000    
 C  -0.7704000     -9.2000002E-03  0.1153000    
 H    2.786200     -0.8980000       1.721900    
 H   -3.144500     -0.6641000     -0.9116000    
 H    4.467000      0.1242000      -1.609200    
 H   -5.371500      -1.061500       2.213700    
 H    2.723800      -1.417200     -0.8089000    
 H    3.891500      -2.303800      0.1516000    
 H   -4.350700      0.9343000       1.415900    
 H   -3.088400     -0.2578000       1.596800    
 H    5.067700      -1.014100       2.232400    
 H    4.570800      0.6511000       2.516600    
 H   -4.549800      0.6401000      -2.378500    
 H   -5.268500       1.497600      -1.024600    
 H    6.838400     -0.1840000      -1.024200    
 H    6.445500      -1.538700      3.0600000E-02
 H   -6.768700      9.1200002E-02  0.6638000    
 H   -6.976900      -1.624200      0.3448000    
 H    6.777700      0.4805000       1.370700    
 H    5.611300       1.377000      0.4090000    
 H   -5.521800      -1.484700      -1.636900    
 H   -6.786500     -0.2689000      -1.741800    
 H    3.385200       1.672100      0.4378000    
 H   -3.023600       2.277900     -0.7551000    
 H    5.786100      -1.482200      -2.952900    
 H    5.313600      -2.807600      -1.875600    
 H    4.091000      -1.981200      -2.857100    
 H   -3.633000      -2.690200       1.591800    
 H   -5.238000      -3.249800       1.106400    
 H   -4.117200      -2.620500     -0.1074000    
 H    1.541100       3.090600     -0.1750000    
 H  -0.8525000       3.302800     -0.6745000    
 H   0.9378000      -1.115900      0.6973000    
 H   -1.369900     -0.9085000      0.2059000    


%chk=000093533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093533

0 1
N 2.846958 0.742346 0.589030
N -2.687358 1.232133 -0.716996
C 3.552274 -0.482604 0.989457
C -3.723717 0.211315 -0.504113
C 4.969178 -0.792728 -1.154322
C -5.228708 -1.006355 1.228968
C 3.897810 -1.406476 -0.218741
C -4.109619 0.046900 0.996251
C 4.844673 -0.112663 1.762006
C -4.977433 0.562336 -1.338897
C 6.243748 -0.432846 -0.347386
C -6.463065 -0.661353 0.349078
C 5.929248 0.502578 0.843930
C -6.098414 -0.486269 -1.145730
C 5.292519 -1.737391 -2.331220
C -4.731427 -2.456578 1.002308
C 1.482584 0.819272 0.262031
C -1.330751 1.073874 -0.367127
C 0.912428 2.073895 -0.107507
C -0.453122 2.197141 -0.412923
C 0.610983 -0.305022 0.299083
C -0.764293 -0.178236 0.000059
H 2.891309 -1.047677 1.681489
H -3.327356 -0.752876 -0.882889
H 4.549289 0.149269 -1.568429
H -5.540334 -0.933258 2.292112
H 2.977311 -1.619204 -0.795534
H 4.269724 -2.377769 0.173113
H -4.458079 1.035877 1.361625
H -3.209368 -0.211537 1.586178
H 5.251528 -1.038210 2.215252
H 4.594163 0.574371 2.593439
H -4.697448 0.646397 -2.406238
H -5.352690 1.559276 -1.017804
H 6.993217 0.037006 -1.014904
H 6.700102 -1.370661 0.036329
H -6.908707 0.285955 0.717944
H -7.237851 -1.445554 0.461817
H 6.846815 0.695906 1.432643
H 5.598653 1.489502 0.456980
H -5.769428 -1.455573 -1.571441
H -6.996448 -0.183455 -1.718228
H 3.383925 1.607457 0.555907
H -3.021876 2.192197 -0.816265
H 6.033085 -1.285392 -3.018151
H 5.713593 -2.693844 -1.964003
H 4.384573 -1.971753 -2.917899
H -3.860557 -2.678295 1.647227
H -5.527224 -3.185619 1.245303
H -4.426229 -2.637367 -0.044370
H 1.552688 2.965275 -0.149494
H -0.851413 3.180509 -0.696449
H 0.995500 -1.293390 0.570978
H -1.391965 -1.074230 0.050221


