%chk=000047129.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047129

2 1
 N    1.329000      0.7867000     -7.6800004E-02
 N   -3.504900     -0.5784000     -6.6100001E-02
 C    3.901300      0.9972000     -0.3516000    
 C    3.030000     -0.6078000       1.301100    
 C    2.507900       1.212300     -0.9663000    
 C    1.594700     -0.4709000      0.7659000    
 C    3.865900      0.6517000       1.129600    
 C   0.1352000      0.4799000      -1.004100    
 C    4.660700     -0.1234000      -1.095400    
 C    3.763100      -1.777300      0.6078000    
 C    4.044000      -1.505500     -0.8714000    
 C   -1.104600      0.1293000     -0.1880000    
 C   0.8724000       1.951900      0.8144000    
 C   -2.360000     -0.1945000     -0.9910000    
 C   -3.823700      0.5801000      0.9013000    
 C   -4.796900     -0.8178000     -0.8739000    
 C   -5.332500      0.7192000      0.8498000    
 C   -5.656200      0.3990000     -0.5928000    
 C   -3.125300      -1.831700      0.7075000    
 H    4.478400       1.920800     -0.4870000    
 H    2.974100     -0.8533000       2.369300    
 H    2.356400       2.275200      -1.192700    
 H    2.414200      0.6760000      -1.918000    
 H    1.331900      -1.343700      0.1565000    
 H   0.9065000     -0.4511000       1.619000    
 H    4.884400      0.4851000       1.504300    
 H    3.470100       1.473800       1.730100    
 H   0.4246000     -0.3535000      -1.655600    
 H  -3.8500000E-02   1.365500      -1.627300    
 H    5.700300     -0.1408000     -0.7426000    
 H    4.704200      9.2100002E-02  -2.169700    
 H    3.186900      -2.704600      0.7104000    
 H    4.718200      -1.950200       1.121100    
 H    3.113100      -1.589500      -1.443900    
 H    4.716200      -2.276400      -1.265800    
 H  -0.8607000     -0.7391000      0.4229000    
 H   -1.339200      0.9445000      0.4961000    
 H    1.752200       2.452600       1.220400    
 H   0.3226000       2.675100      0.2032000    
 H   0.2633000       1.584300       1.644000    
 H   -2.186600      -1.036400      -1.671500    
 H   -2.683200      0.6717000      -1.580400    
 H   -3.372200       1.498900      0.5121000    
 H   -3.437100      0.3585000       1.900300    
 H   -5.274800      -1.729600     -0.4996000    
 H   -4.553300     -0.9422000      -1.933500    
 H   -5.665700       1.719200       1.141800    
 H   -5.806100     -7.4999998E-03   1.520500    
 H   -6.719700      0.1974000     -0.7488000    
 H   -5.367200       1.230900      -1.246000    
 H   -2.353700      -1.603800       1.446000    
 H   -4.012700      -2.181600       1.245100    
 H   -2.792400      -2.594800     -1.8000000E-03


%chk=000047129-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047129

2 1
N 1.407417 0.745051 0.178616
N -3.653858 -0.529101 -0.014105
C 3.960247 1.050898 -0.497534
C 3.391369 -0.652143 1.259042
C 2.458210 1.195242 -0.897793
C 1.865316 -0.540157 0.941912
C 4.146161 0.670646 0.991934
C 0.100318 0.449486 -0.596394
C 4.647943 -0.037858 -1.373620
C 4.052549 -1.782335 0.415461
C 4.077970 -1.449877 -1.095943
C -1.135291 0.096321 0.268173
C 1.160515 1.901137 1.150349
C -2.293297 -0.278009 -0.689938
C -4.191359 0.736007 0.726799
C -4.742480 -0.836240 -1.124329
C -5.708299 0.714880 0.489406
C -5.817266 0.261033 -0.985692
C -3.579831 -1.709683 0.952514
H 4.447468 2.023403 -0.690416
H 3.481457 -0.912873 2.329137
H 2.194850 2.241177 -1.131244
H 2.246228 0.580511 -1.789172
H 1.553489 -1.387369 0.306438
H 1.267504 -0.559885 1.868095
H 5.221933 0.503315 1.176043
H 3.854764 1.477066 1.687792
H 0.338652 -0.382332 -1.282755
H -0.099876 1.349150 -1.206995
H 5.730509 -0.024504 -1.146218
H 4.554533 0.212222 -2.447470
H 3.539516 -2.747526 0.590639
H 5.088434 -1.913267 0.781631
H 3.052705 -1.536433 -1.521268
H 4.675810 -2.206245 -1.634175
H -0.901247 -0.752628 0.933495
H -1.425789 0.957455 0.895361
H 2.116833 2.240556 1.563828
H 0.686277 2.732078 0.604053
H 0.513149 1.564096 1.973228
H -2.049178 -1.200052 -1.247877
H -2.467815 0.530211 -1.423266
H -3.735048 1.615588 0.240867
H -3.884428 0.691830 1.783064
H -5.140121 -1.840058 -0.908530
H -4.241750 -0.853710 -2.104657
H -6.148427 1.710469 0.658414
H -6.216764 0.010690 1.171628
H -6.815749 -0.132844 -1.232639
H -5.615268 1.104795 -1.668462
H -2.860180 -1.496921 1.756520
H -4.575063 -1.866054 1.394661
H -3.279144 -2.613708 0.400290


