%chk=000031061.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031061

0 1
 N  -0.7356000     -0.2326000     -0.3480000    
 N    4.924000       1.502300     -1.5100000E-02
 C   -1.392700      -1.419200     -0.1956000    
 C   -2.729700      -1.156400      1.8600000E-02
 C  -0.7609000      -2.761800     -0.2824000    
 C   -3.728900      -2.240000      0.2403000    
 C   -1.722500      -3.825400      0.2800000    
 C   -3.171600      -3.609200     -0.1958000    
 C   -2.892500      0.2575000      3.3000000E-03
 C   -1.628700      0.8113000     -0.2294000    
 C   0.6820000     -8.6700000E-02 -0.6038000    
 C   -3.991500       1.125300      0.1662000    
 C   -1.414000       2.192100     -0.3092000    
 C    1.525100      2.6699999E-02  0.6708000    
 C   -3.789600       2.507800      8.8900000E-02
 C   -2.519700       3.030900     -0.1453000    
 C    3.006600      0.1213000      0.4021000    
 C   -4.949600       3.431400      0.2616000    
 C    3.774200      -1.022600      0.3265000    
 C    3.603400       1.347700      0.2293000    
 C    5.136800     -0.9042000      7.6499999E-02
 C    5.658300      0.3693000     -8.5299999E-02
 C    7.117100      0.5342000     -0.3543000    
 H  -0.5439000      -2.989500      -1.332900    
 H   0.1827000      -2.802000      0.2715000    
 H   -3.979100      -2.274300       1.307600    
 H   -4.653800      -2.029900     -0.3082000    
 H   -1.376400      -4.822400     -1.5200000E-02
 H   -1.702000      -3.791800       1.377100    
 H   -3.815600      -4.405500      0.1943000    
 H   -3.199700      -3.682200      -1.290700    
 H   0.8258000      0.7907000      -1.245200    
 H    1.005000     -0.9451000      -1.205000    
 H   -4.983200      0.7194000      0.3474000    
 H  -0.4295000       2.611900     -0.4861000    
 H    1.206000      0.9025000       1.251600    
 H    1.333100     -0.8321000       1.327600    
 H   -2.372100       4.107000     -0.2044000    
 H   -5.706500       2.996700      0.9235000    
 H   -4.636700       4.379000      0.7132000    
 H   -5.410700       3.640200     -0.7088000    
 H    3.334100      -2.006800      0.4558000    
 H    3.038200       2.272700      0.2782000    
 H    5.762100      -1.788300      1.1900000E-02
 H    7.380900       1.591700     -0.4591000    
 H    7.705500      0.1198000      0.4704000    
 H    7.393000      2.4100000E-02  -1.282800    


%chk=000031061-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031061

0 1
N -0.708689 -0.323621 -0.422268
N 4.954490 1.588674 0.030228
C -1.441424 -1.514946 -0.216746
C -2.778709 -1.205568 0.037206
C -0.861999 -2.902645 -0.296115
C -3.834232 -2.261184 0.269550
C -1.875303 -3.917987 0.302520
C -3.319226 -3.651090 -0.192400
C -2.897700 0.238094 0.009710
C -1.587810 0.764329 -0.274273
C 0.736673 -0.217034 -0.624093
C -3.979742 1.140000 0.189354
C -1.351405 2.152477 -0.373303
C 1.521157 0.011871 0.706971
C -3.763803 2.531798 0.092509
C -2.447386 3.019290 -0.188830
C 3.011862 0.137378 0.461685
C -4.905811 3.518244 0.283225
C 3.852376 -0.999120 0.331990
C 3.629704 1.403041 0.301573
C 5.223449 -0.829402 0.054809
C 5.752215 0.481323 -0.096579
C 7.218373 0.718267 -0.395519
H -0.643565 -3.173795 -1.351391
H 0.101587 -2.974771 0.249204
H -4.107723 -2.306187 1.345157
H -4.766475 -2.007620 -0.273298
H -1.563818 -4.946601 0.038879
H -1.854063 -3.843298 1.407956
H -3.995761 -4.445289 0.176938
H -3.335672 -3.698643 -1.299915
H 0.944884 0.618331 -1.318000
H 1.102208 -1.137715 -1.112365
H -4.985459 0.758713 0.404925
H -0.356033 2.556766 -0.590141
H 1.128705 0.925705 1.189835
H 1.306241 -0.833209 1.388054
H -2.290269 4.102746 -0.262503
H -5.857740 2.997898 0.487798
H -4.711104 4.205065 1.129196
H -5.053730 4.145875 -0.616442
H 3.436019 -2.006536 0.458021
H 3.035658 2.321306 0.403166
H 5.886817 -1.695690 -0.042008
H 7.397116 1.797383 -0.519503
H 7.860546 0.347039 0.425382
H 7.531770 0.195839 -1.318546


