%chk=000080216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080216

0 1
 N    5.469900      -1.230700      0.2667000    
 N    5.474000       1.167300      0.1809000    
 N    7.304000     -6.9899999E-02 -0.7564000    
 N    7.272800      -2.412600     -0.6562000    
 N    7.280800       2.274200     -0.8237000    
 C   -2.609400      0.1709000     -0.2105000    
 C   -3.948000      0.2048000      0.5302000    
 C   -1.434500      0.1456000      0.7698000    
 C   -5.161700      0.1588000     -0.4026000    
 C  -9.6299998E-02  7.3500000E-02  3.2200001E-02
 C   -6.499000      0.1183000      0.3400000    
 C    1.079800      8.2000002E-02   1.011200    
 C   -7.672000     -9.9999997E-05 -0.6372000    
 C    2.417400     -2.4000000E-02  0.2719000    
 C   -9.007300     -7.8599997E-02  0.1064000    
 C   -10.21620     -0.1738000     -0.8266000    
 C    3.626900      6.6000000E-03   1.213100    
 C   -11.54390     -0.2783000     -9.2100002E-02
 C    4.955400     -2.1100000E-02  0.5001000    
 C    6.651900      -1.177800     -0.3685000    
 C    6.655600       1.065000     -0.4488000    
 H   -2.529700       1.047300     -0.8649000    
 H   -2.570000     -0.7174000     -0.8524000    
 H   -3.998600     -0.6479000       1.218900    
 H   -4.001200       1.111500       1.145400    
 H   -1.530000     -0.7186000       1.438400    
 H   -1.462200       1.044800       1.397200    
 H   -5.139500       1.032700      -1.065400    
 H   -5.081100     -0.7271000      -1.044800    
 H  -7.6000001E-03  0.9244000     -0.6541000    
 H  -6.2500000E-02 -0.8381000     -0.5766000    
 H   -6.609700       1.025200      0.9465000    
 H   -6.508200     -0.7353000       1.028500    
 H   0.9843000     -0.7555000       1.712700    
 H    1.059600       1.005000       1.603100    
 H   -7.677500      0.8643000      -1.312000    
 H   -7.548200     -0.8954000      -1.258400    
 H    2.439100     -0.9504000     -0.3164000    
 H    2.498300      0.8016000     -0.4469000    
 H   -9.118900      0.8060000      0.7458000    
 H   -8.998900     -0.9508000      0.7720000    
 H   -10.24070      0.7067000      -1.479500    
 H   -10.10370      -1.048800      -1.477800    
 H    3.583300      0.9089000       1.836200    
 H    3.575700     -0.8453000       1.902700    
 H   -11.57010      -1.170500      0.5414000    
 H   -11.70860      0.5984000      0.5422000    
 H   -12.37020     -0.3428000     -0.8068000    
 H    8.164300      -2.421800      -1.132200    
 H    6.819000      -3.273000     -0.3818000    
 H    6.830000       3.153400     -0.6112000    
 H    8.172400       2.246300      -1.298700    


%chk=000080216-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080216

0 1
N 5.677612 -1.170619 0.382510
N 5.488489 1.234122 0.108905
N 7.420462 0.055462 -0.824554
N 7.540875 -2.265279 -0.524505
N 7.174068 2.374172 -1.054353
C -2.623301 -0.023860 -0.173924
C -3.986227 -0.018485 0.554514
C -1.414840 -0.021472 0.789132
C -5.196470 -0.013912 -0.406309
C -0.050606 -0.027574 0.062862
C -6.558458 -0.010065 0.323940
C 1.154548 -0.014389 1.030076
C -7.769707 -0.001882 -0.635807
C 2.516151 -0.018433 0.301325
C -9.131509 0.001254 0.094887
C -10.342560 0.010313 -0.865733
C 3.715158 0.007879 1.290609
C -11.699134 0.013191 -0.128086
C 5.037361 0.024665 0.564211
C 6.864130 -1.090798 -0.320001
C 6.683338 1.185386 -0.579433
H -2.561432 0.861333 -0.841336
H -2.564313 -0.914503 -0.834271
H -4.049369 -0.905840 1.218977
H -4.042563 0.869881 1.218255
H -1.477333 -0.905653 1.457818
H -1.474058 0.870172 1.448168
H -5.134261 0.874454 -1.069521
H -5.140017 -0.901343 -1.071255
H 0.010185 0.853402 -0.609881
H 0.012868 -0.922477 -0.590970
H -6.613629 0.876123 0.990667
H -6.621393 -0.899552 0.985554
H 1.094957 -0.894976 1.703419
H 1.091072 0.881912 1.682151
H -7.707162 0.888095 -1.296900
H -7.714484 -0.887723 -1.303055
H 2.594750 -0.920094 -0.338426
H 2.586127 0.861235 -0.368517
H -9.188195 0.886791 0.762408
H -9.195950 -0.888951 0.755463
H -10.277141 0.899976 -1.525230
H -10.284731 -0.874476 -1.532438
H 3.644219 0.914543 1.918734
H 3.680127 -0.884441 1.939871
H -11.802691 -0.881947 0.514136
H -11.794678 0.903647 0.521840
H -12.547383 0.020048 -0.837379
H 8.419756 -2.252656 -1.035192
H 7.147133 -3.127227 -0.156258
H 6.645882 3.225517 -0.881831
H 8.053425 2.382952 -1.564268


