%chk=000046908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046908

2 1
 O  -7.7200003E-02 -0.7106000      0.1598000    
 N    3.632000     -0.3015000      0.1615000    
 N   -3.609400      0.3815000      0.1645000    
 C    2.300500      -1.038000      0.1328000    
 C   -2.473300     -0.5741000      0.1859000    
 C    3.751300      0.5795000      -1.073800    
 C   -4.949600     -0.3661000      0.1426000    
 C    1.169800     -2.8400000E-02  0.1499000    
 C   -1.169100      0.1989000      0.1759000    
 C    3.706300      0.5641000       1.411000    
 C    4.770100      -1.311800      0.1759000    
 C   -3.586100       1.283200       1.406200    
 C   -3.542700       1.278800      -1.078700    
 C    5.076600       1.308700      -1.039600    
 C   -4.999200      -1.264200      -1.074000    
 H    2.269600      -1.660400     -0.7695000    
 H    2.251300      -1.703300       1.003300    
 H   -2.555200      -1.213700       1.072800    
 H   -2.494800      -1.215700     -0.6999000    
 H    3.660600     -5.5399999E-02  -1.961800    
 H    2.959900       1.331500      -1.072600    
 H   -5.020900     -0.9475000       1.068700    
 H   -5.754300      0.3774000      0.1221000    
 H    1.202100      0.6083000       1.038200    
 H    1.171300      0.6005000     -0.7429000    
 H   -1.077700      0.8351000     -0.7090000    
 H   -1.062500      0.8170000       1.071800    
 H    3.312500     -1.0300000E-02   2.255700    
 H    4.751500      0.8104000       1.621500    
 H    3.135400       1.485600       1.265200    
 H    4.795000      -1.825400     -0.7897000    
 H    5.719600     -0.8127000      0.3837000    
 H    4.571400      -2.032000      0.9763000    
 H   -2.755900       1.990500       1.343400    
 H   -4.525400       1.845000       1.434000    
 H   -3.501300      0.6477000       2.292500    
 H   -2.812300       2.076100     -0.9112000    
 H   -3.249600      0.6833000      -1.947600    
 H   -4.524800       1.737200      -1.231900    
 H    5.128100       1.972800      -1.911300    
 H    5.205400       1.952600     -0.1661000    
 H    5.939100      0.6430000      -1.127200    
 H   -6.001900      -1.705000      -1.133900    
 H   -4.842900     -0.7457000      -2.022200    
 H   -4.314300      -2.113900      -1.008000    


%chk=000046908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046908

2 1
O -0.072745 -0.140266 0.068440
N 3.713683 -0.315629 0.124543
N -3.812268 0.448814 0.060717
C 2.218546 -0.631310 -0.092352
C -2.421446 -0.200380 0.174007
C 4.141762 0.861097 -0.806574
C -4.905233 -0.647507 0.313152
C 1.233830 0.532994 0.137802
C -1.224695 0.771850 0.139057
C 3.986109 0.028183 1.590108
C 4.493781 -1.586151 -0.235219
C -3.997081 1.525156 1.133471
C -4.020464 1.075445 -1.318844
C 5.641214 1.172830 -0.818338
C -4.889297 -1.832227 -0.655514
H 2.113568 -1.002449 -1.125593
H 1.956825 -1.450983 0.598444
H -2.405384 -0.770635 1.118153
H -2.318779 -0.909728 -0.662157
H 3.789367 0.583027 -1.815832
H 3.570875 1.740144 -0.461914
H -4.752011 -0.982170 1.354191
H -5.868329 -0.110621 0.260256
H 1.362983 1.010737 1.130733
H 1.307130 1.308006 -0.651256
H -1.240746 1.433488 -0.751692
H -1.164186 1.395348 1.053846
H 3.574841 -0.770454 2.226519
H 5.071191 0.098032 1.748993
H 3.519255 0.991804 1.840556
H 4.366224 -1.797453 -1.307873
H 5.557965 -1.438503 -0.007728
H 4.103431 -2.424205 0.362404
H -3.311921 2.364124 0.943083
H -5.034509 1.890393 1.093467
H -3.798022 1.088185 2.124067
H -3.357940 1.946080 -1.431727
H -3.799222 0.332765 -2.098090
H -5.067554 1.403790 -1.404054
H 5.792834 2.043372 -1.481052
H 6.034219 1.459737 0.171158
H 6.252744 0.354322 -1.230581
H -5.723629 -2.497390 -0.369769
H -5.067364 -1.540561 -1.703735
H -3.970554 -2.438101 -0.592971


