%chk=000043396.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043396

0 1
 O  -0.5589000       2.169300      3.0800000E-02
 N    3.220900      0.2555000     -0.2842000    
 C   0.7943000      0.1701000      0.1278000    
 C    1.968000       1.004000     -0.3819000    
 C   0.7124000      -1.151300     -0.6354000    
 C    3.503200     -9.3999997E-02   1.115100    
 C    4.326200       1.024600     -0.8730000    
 C    4.785400     -0.9200000       1.229700    
 C    5.635300      0.2354000     -0.8233000    
 C    5.969700     -0.1953000      0.6004000    
 C  -0.4420000      -1.998600     -0.1137000    
 C  -0.5151000      0.9424000      1.9000000E-03
 C   -1.740200      -1.240200     -0.1518000    
 C   -1.777200      0.1611000     -9.1300003E-02
 C   -3.003600      0.8374000     -0.1150000    
 C   -2.948900      -1.949600     -0.2069000    
 C   -4.195900      0.1174000     -0.1853000    
 C   -4.169300      -1.274300     -0.2281000    
 C   -5.501900      0.8381000     -0.2084000    
 C   -6.062500       1.068100       1.192600    
 H   0.8811000     -1.7500000E-02   1.204700    
 H    2.033300       1.947200      0.1774000    
 H    1.780300       1.276800      -1.429300    
 H    1.631500      -1.739100     -0.5373000    
 H   0.5669000     -0.9575000      -1.707000    
 H    2.721800     -0.7220000       1.551000    
 H    3.587900      0.8075000       1.736000    
 H    4.455300       1.983700     -0.3541000    
 H    4.104500       1.249700      -1.923300    
 H    4.644600      -1.889000      0.7339000    
 H    4.999400      -1.128700       2.284200    
 H    6.451300      0.8460000      -1.225800    
 H    5.553700     -0.6520000      -1.463800    
 H    6.219600      0.6879000       1.200900    
 H    6.851600     -0.8451000      0.5998000    
 H  -0.2455000      -2.310600      0.9192000    
 H  -0.5176000      -2.904400     -0.7273000    
 H   -3.038400       1.923300     -7.2099999E-02
 H   -2.945400      -3.036500     -0.2367000    
 H   -5.092200      -1.846400     -0.2750000    
 H   -5.388500       1.803100     -0.7181000    
 H   -6.230400      0.2735000     -0.8037000    
 H   -6.230400      0.1191000       1.712900    
 H   -7.018400       1.598100       1.134500    
 H   -5.376600       1.668500       1.799900    


%chk=000043396-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043396

0 1
O -0.540778 2.150193 0.125307
N 3.279779 0.244812 -0.120322
C 0.769521 0.078687 0.038399
C 1.990393 0.954882 -0.328343
C 0.659397 -1.191480 -0.838803
C 3.672238 0.194240 1.312012
C 4.370693 0.819747 -0.951110
C 4.944556 -0.653979 1.514817
C 5.664133 -0.010335 -0.825217
C 6.107174 -0.112749 0.651927
C -0.513217 -2.076167 -0.372777
C -0.537393 0.886635 0.007847
C -1.819633 -1.297280 -0.316814
C -1.817712 0.118908 -0.139047
C -3.044671 0.833578 -0.087868
C -3.067968 -1.952513 -0.442649
C -4.288236 0.178522 -0.203732
C -4.279091 -1.232317 -0.384713
C -5.599666 0.943382 -0.093921
C -6.136245 0.983387 1.362533
H 0.879044 -0.262115 1.094215
H 1.937910 1.912012 0.240504
H 1.914862 1.219871 -1.400768
H 1.619348 -1.734556 -0.784599
H 0.506648 -0.893431 -1.896140
H 2.839505 -0.237443 1.897855
H 3.850149 1.229218 1.710525
H 4.588234 1.881050 -0.655259
H 4.031413 0.836035 -2.003818
H 4.725753 -1.700347 1.225516
H 5.219706 -0.652278 2.587313
H 6.459187 0.451947 -1.441669
H 5.474782 -1.025464 -1.225467
H 6.399754 0.893133 1.018588
H 6.997468 -0.762954 0.747177
H -0.281838 -2.475251 0.638545
H -0.629006 -2.956211 -1.032958
H -2.991735 1.920696 0.045066
H -3.088413 -3.038447 -0.596836
H -5.232627 -1.765243 -0.491265
H -5.459713 1.979722 -0.454841
H -6.362933 0.476925 -0.746400
H -6.311819 -0.037708 1.747635
H -7.089415 1.540671 1.416058
H -5.410238 1.475718 2.034395


