%chk=000047681.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047681

0 1
 N    3.383500     -0.2862000     -2.1299999E-02
 N   -2.045900     -0.2722000      0.1341000    
 C   0.4423000     -0.2379000      0.4119000    
 C    1.123900     -0.5135000     -0.9437000    
 C  -0.8697000      0.4316000      0.2600000    
 C    2.495900      -1.164300     -0.7747000    
 C   -1.161800       1.777900      0.2185000    
 C   -3.092100      0.6370000      1.1700000E-02
 C    3.558300      0.9900000     -0.7171000    
 C    4.681300     -0.9280000      0.1955000    
 C   -2.563100       1.909000      6.1900001E-02
 C   -2.233400      -1.654600      0.1225000    
 C  -0.1947000       2.889500      0.3190000    
 C   -4.408400      0.1093000     -0.1304000    
 C    4.428200       1.939900      8.8600002E-02
 C    4.523400      -2.255700      0.9170000    
 C   -3.475600      -2.146800     -1.1900000E-02
 C   -4.592200      -1.224900     -0.1415000    
 H   0.3555000      -1.168100      0.9847000    
 H    1.083500      0.4090000       1.023400    
 H   0.4945000      -1.220600      -1.502400    
 H    1.145000      0.3799000      -1.576100    
 H    2.320500      -2.112000     -0.2554000    
 H    2.909900      -1.404300      -1.762600    
 H    3.983800      0.8561000      -1.719600    
 H    2.608500       1.517700     -0.8310000    
 H    5.224400      -1.083100     -0.7453000    
 H    5.311800     -0.3120000      0.8449000    
 H   -3.127800       2.829100     -6.8999999E-03
 H   -1.373500      -2.305200      0.2156000    
 H   0.4900000       2.882600     -0.5349000    
 H  -0.7024000       3.859600      0.3319000    
 H   0.3958000       2.811600       1.237600    
 H   -5.250700      0.7856000     -0.2283000    
 H    4.105000       1.998700       1.133700    
 H    5.487400       1.666800      5.7599999E-02
 H    4.355500       2.949600     -0.3317000    
 H    3.862400      -2.171500       1.786500    
 H    4.152900      -3.048700      0.2600000    
 H    5.500600      -2.590300       1.283700    
 H   -3.670100      -3.212300     -2.9400000E-02
 H   -5.585300      -1.647500     -0.2487000    


%chk=000047681-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047681

0 1
N 3.477858 -0.277890 -0.336626
N -2.043554 -0.345016 0.079662
C 0.483489 -0.467359 0.386224
C 1.084035 -0.685737 -1.032886
C -0.825441 0.269191 0.400454
C 2.529067 -1.231275 -0.973849
C -1.098661 1.633011 0.674351
C -3.103504 0.631788 0.151447
C 3.881700 0.820196 -1.258347
C 4.648718 -0.953180 0.287383
C -2.501707 1.855189 0.520023
C -2.310311 -1.671927 -0.253965
C -0.066655 2.664122 1.062400
C -4.432145 0.204643 -0.131510
C 4.296008 2.106309 -0.517578
C 4.307500 -1.662299 1.611933
C -3.610476 -2.071832 -0.523139
C -4.693389 -1.126286 -0.466301
H 0.390612 -1.451231 0.894705
H 1.228118 0.108929 0.964318
H 0.459543 -1.389655 -1.619216
H 1.059941 0.276391 -1.579632
H 2.527782 -2.163905 -0.378367
H 2.864017 -1.513491 -2.004152
H 4.706826 0.491666 -1.940779
H 3.017701 1.053282 -1.907069
H 5.123033 -1.680745 -0.420640
H 5.409878 -0.178688 0.493716
H -3.026881 2.797968 0.665151
H -1.456370 -2.351850 -0.282756
H 0.646605 2.864998 0.239317
H -0.548703 3.621273 1.325091
H 0.530872 2.338260 1.934839
H -5.237156 0.944204 -0.078391
H 3.463914 2.464529 0.114078
H 5.171813 1.943671 0.136387
H 4.561128 2.900860 -1.240143
H 3.871637 -0.942193 2.326339
H 3.581387 -2.483538 1.470667
H 5.219521 -2.098885 2.060387
H -3.796706 -3.118066 -0.781295
H -5.713944 -1.454631 -0.684834


