%chk=000066513.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066513

0 1
 N   -5.044000       1.881900     -0.2320000    
 N    4.359400       2.989800      3.5799999E-02
 C  -1.7100001E-02 -0.5561000      0.8628000    
 C   -1.379400      0.1082000      0.5612000    
 C    1.171900      0.4040000      0.6334000    
 C   0.1581000      -1.936700      0.3259000    
 C   -1.468200      0.9278000     -0.5313000    
 C    1.880200      0.2847000     -0.5316000    
 C   -2.425200     -0.1586000       1.402700    
 C    1.453400       1.323000       1.607700    
 C   -2.698000       1.527200     -0.8033000    
 C    2.953300       1.151600     -0.7384000    
 C   0.8560000      -2.890000       1.067200    
 C  -0.3755000      -2.274200     -0.9179000    
 C   -3.791500       1.283600      2.7600000E-02
 C    3.276400       2.104200      0.2278000    
 C   -3.655100      0.4407000       1.130700    
 C    2.526400       2.190000       1.400800    
 C    1.020200      -4.181000      0.5650000    
 C  -0.2114000      -3.565100      -1.420100    
 C   -2.815800       2.425700      -1.991400    
 C    3.739400       1.037700      -2.003900    
 C   0.4866000      -4.518400     -0.6787000    
 H  -2.8700000E-02 -0.6906000       1.958500    
 H  -0.6336000       1.111200      -1.197600    
 H    1.632100     -0.4396000      -1.298500    
 H   -2.326900     -0.8157000       2.260700    
 H   0.8728000       1.396600       2.521400    
 H    1.280500      -2.642100       2.036600    
 H  -0.9116000      -1.559000      -1.532600    
 H   -4.499300      0.2417000       1.786000    
 H    2.766900       2.928200       2.161800    
 H    1.564500      -4.923000       1.141700    
 H  -0.6236000      -3.827300      -2.390100    
 H   -3.103400       3.436000      -1.681900    
 H   -1.867800       2.511600      -2.533600    
 H   -3.557100       2.034800      -2.696400    
 H    3.686300       1.971000      -2.574200    
 H    4.786400      0.8020000      -1.785800    
 H    3.357200      0.2409000      -2.651500    
 H   0.6155000      -5.523100      -1.070300    
 H   -5.174000       2.495500      -1.024100    
 H   -5.825600       1.692200      0.3817000    
 H    4.920300       2.952500     -0.8037000    
 H    4.577900       3.674400      0.7479000    


%chk=000066513-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066513

0 1
N -5.178446 1.775136 -0.404539
N 4.431593 2.997243 -0.096080
C -0.040832 -0.539154 0.999567
C -1.384229 0.112697 0.625243
C 1.168799 0.363536 0.701132
C 0.125985 -1.950525 0.403155
C -1.503714 1.103226 -0.379052
C 1.953939 0.227527 -0.469818
C -2.570898 -0.307023 1.277815
C 1.504027 1.407611 1.599026
C -2.744697 1.673600 -0.744156
C 3.039995 1.083130 -0.763295
C 1.014503 -2.864862 1.028091
C -0.556402 -2.367929 -0.765951
C -3.929895 1.233100 -0.073729
C 3.360369 2.131258 0.157540
C -3.822401 0.239503 0.939819
C 2.578685 2.277698 1.337840
C 1.216275 -4.159310 0.502895
C -0.355168 -3.663047 -1.298660
C -2.831286 2.739307 -1.821785
C 3.866594 0.899388 -2.023282
C 0.531048 -4.564819 -0.667537
H -0.059256 -0.674966 2.101982
H -0.596892 1.454693 -0.885661
H 1.723005 -0.582051 -1.172796
H -2.514778 -1.078003 2.057076
H 0.909840 1.545746 2.511256
H 1.556210 -2.551389 1.929742
H -1.258154 -1.680150 -1.250328
H -4.727042 -0.098544 1.461572
H 2.822484 3.076265 2.050366
H 1.903479 -4.851334 1.003699
H -0.894309 -3.967904 -2.203402
H -3.249445 3.690139 -1.431147
H -1.833186 2.966055 -2.231972
H -3.472026 2.421101 -2.670229
H 3.842589 1.799899 -2.671423
H 4.931099 0.687854 -1.791818
H 3.489149 0.054192 -2.622390
H 0.683295 -5.570134 -1.077001
H -5.268975 2.486039 -1.122491
H -6.017828 1.463053 0.073866
H 5.003413 2.893813 -0.927549
H 4.662384 3.736535 0.560408


