%chk=000046031.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046031

1 1
 O    3.792000     -0.1621000      6.8000001E-03
 N   -1.757500     -0.9053000     -4.8000002E-03
 C  -0.2427000     -0.6859000     -1.8000000E-03
 C   0.2117000      0.5903000      1.3000000E-03
 C  -0.6749000       1.792300      4.3000001E-03
 C   -2.035900      -2.405800     -7.7000000E-03
 C   -2.347400     -0.2411000      -1.245800    
 C   -2.431300     -0.2988000       1.224300    
 C   0.5236000      -1.805400     -2.0999999E-03
 C    1.594800      0.7704000      4.4000000E-03
 C  -0.4884000       2.661800      -1.252500    
 C  -0.4932000       2.652200       1.268300    
 C    1.906800      -1.625300      1.0000000E-03
 C    2.442400     -0.3374000      4.3000001E-03
 H   -1.728300       1.608600      7.7999998E-03
 H   -1.668900      -2.860700      0.9191000    
 H   -3.125500      -2.534800     -2.8400000E-02
 H   -1.646300      -2.859700     -0.9258000    
 H   -1.568100     -4.1200001E-02  -1.987100    
 H   -3.033000     -0.9642000      -1.704800    
 H   -2.963500      0.6335000      -1.027500    
 H   -2.960900      0.6338000       1.024600    
 H   -3.195300      -1.001500       1.577200    
 H   -1.693000     -0.1852000       2.024200    
 H   0.2084000      -2.838300     -1.9000000E-03
 H    2.030800       1.766200      7.1999999E-03
 H   0.5108000       3.108900      -1.294300    
 H   -1.213400       3.483600      -1.263100    
 H  -0.6300000       2.080300      -2.169100    
 H  -0.6515000       2.060100       2.176000    
 H   -1.211700       3.479700       1.279000    
 H   0.5095000       3.089400       1.325600    
 H    2.558100      -2.495500      1.3000000E-03
 H    4.223100      -1.034100      6.2000002E-03


%chk=000046031-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046031

1 1
O 3.807185 0.068769 0.023110
N -1.839250 -1.028243 -0.015920
C -0.332515 -0.699182 -0.005642
C 0.149727 0.652686 0.004332
C -0.665791 1.966286 0.006849
C -2.124224 -2.536012 -0.025410
C -2.503081 -0.476157 -1.289475
C -2.517178 -0.489500 1.255923
C 0.573330 -1.786708 -0.006307
C 1.554024 0.820892 0.013522
C -0.376940 2.809046 -1.266913
C -0.394996 2.792420 1.295322
C 1.963863 -1.585088 0.002973
C 2.459325 -0.260899 0.013153
H -1.749832 1.758893 -0.002367
H -1.709992 -3.001624 0.879655
H -3.217285 -2.663850 -0.033602
H -1.697701 -2.992584 -0.929349
H -2.025414 -0.956766 -2.155909
H -3.577580 -0.717044 -1.261543
H -2.364378 0.607762 -1.351812
H -2.383730 0.594430 1.328471
H -3.590412 -0.734467 1.216038
H -2.045546 -0.975406 2.122687
H 0.229378 -2.821272 -0.013989
H 1.981036 1.827196 0.021245
H 0.676172 3.136549 -1.304621
H -1.007107 3.716090 -1.270279
H -0.580104 2.242233 -2.194183
H -0.612899 2.214360 2.212274
H -1.023680 3.700463 1.300764
H 0.658023 3.117352 1.352764
H 2.638731 -2.448023 0.002059
H 4.400138 -0.723802 0.022379


