%chk=000050664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050664

0 1
 O    1.306700     -0.4073000     -0.8111000    
 O   0.2049000      -1.188800       1.062900    
 N    3.966100      0.9279000      0.8385000    
 C    3.710100     -0.2919000      -1.131700    
 C    2.559600     -0.7252000     -0.2137000    
 C    3.985000       1.120500     -0.6241000    
 C    2.758100      0.1004000       1.066200    
 C    4.967800      -1.147100     -0.9009000    
 C    5.195900      0.2102000       1.238400    
 C    5.379800      -1.161300      0.5739000    
 C   -1.026900     -0.3095000     -0.8048000    
 C   0.2082000     -0.6941000     -5.6200001E-02
 C   -1.489800       1.098300     -0.4726000    
 C   -2.232900      -1.136000     -0.3943000    
 C   -2.796600       1.072800      6.5499999E-02
 C   -3.253200     -0.2999000      0.1135000    
 C  -0.7968000       2.288100     -0.6253000    
 C   -2.392700      -2.510500     -0.4571000    
 C   -3.424100       2.246900      0.4484000    
 C   -4.450500     -0.8383000      0.5556000    
 C   -1.429800       3.471000     -0.2394000    
 C   -3.599700      -3.052300     -1.1700000E-02
 C   -2.730700       3.450700      0.2914000    
 C   -4.618700      -2.224500      0.4887000    
 H    3.429800     -0.2905000      -2.190000    
 H    2.592400      -1.805200     -2.5300000E-02
 H    4.929200       1.541900     -0.9874000    
 H    3.184600       1.811000     -0.9189000    
 H    1.923700      0.7856000       1.254700    
 H    2.859200     -0.5331000       1.954900    
 H    5.791800     -0.7417000      -1.501200    
 H    4.799200      -2.173900      -1.245300    
 H    5.209900      9.0999998E-02   2.328700    
 H    6.060700      0.8437000       1.001800    
 H    4.776000      -1.905800       1.107700    
 H    6.421200      -1.489100      0.6686000    
 H  -0.8863000     -0.4191000      -1.886500    
 H   0.2072000       2.308800      -1.034400    
 H   -1.608300      -3.152300     -0.8428000    
 H   -4.426900       2.247200      0.8623000    
 H   -5.245500     -0.2126000      0.9473000    
 H  -0.9114000       4.419800     -0.3496000    
 H   -3.754500      -4.127400     -5.1300000E-02
 H   -3.202700       4.384700      0.5852000    
 H   -5.549600      -2.669700      0.8302000    


%chk=000050664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050664

0 1
O 1.299814 -0.404505 -0.703541
O 0.237429 -1.547988 1.032099
N 4.125311 1.097958 0.737599
C 3.712721 -0.353482 -1.115406
C 2.627067 -0.692634 -0.065905
C 4.022116 1.132008 -0.759752
C 2.906990 0.311644 1.118570
C 5.000758 -1.189591 -0.869986
C 5.390508 0.389681 1.126526
C 5.473248 -1.076614 0.606201
C -1.092157 -0.423130 -0.756747
C 0.172113 -0.876508 -0.018838
C -1.486181 1.016476 -0.380812
C -2.350657 -1.213501 -0.412331
C -2.830836 1.038351 0.095774
C -3.366192 -0.336450 0.070385
C -0.727060 2.194717 -0.465346
C -2.587040 -2.592355 -0.528154
C -3.423940 2.258289 0.487630
C -4.634263 -0.841396 0.431551
C -1.325317 3.417927 -0.068863
C -3.859574 -3.099681 -0.164323
C -2.661177 3.446914 0.402696
C -4.873651 -2.229891 0.309068
H 3.331378 -0.499165 -2.140401
H 2.615351 -1.747687 0.257088
H 4.955004 1.512529 -1.208568
H 3.188248 1.797778 -1.050375
H 2.045470 0.998029 1.213315
H 3.048729 -0.200780 2.083598
H 5.791585 -0.813886 -1.549713
H 4.831660 -2.252008 -1.130510
H 5.479284 0.411579 2.228021
H 6.227437 0.988278 0.719389
H 4.838752 -1.723734 1.244013
H 6.507379 -1.456789 0.711580
H -0.866321 -0.474587 -1.840018
H 0.305077 2.169152 -0.830929
H -1.803150 -3.271510 -0.880885
H -4.456602 2.289495 0.852651
H -5.421132 -0.175253 0.802618
H -0.749721 4.348359 -0.126384
H -4.060970 -4.173584 -0.245158
H -3.106722 4.401212 0.705326
H -5.851264 -2.640265 0.586045


