%chk=000042301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042301

0 1
 O    1.053500      -2.430200      -1.199300    
 N   -3.008500     -0.4793000      0.2095000    
 C  -0.7708000      -1.036200     -0.4522000    
 C   -1.665900     -0.7304000      0.7803000    
 C  -0.6957000      0.1325000      -1.464400    
 C   -2.894200      0.9027000     -0.2847000    
 C   -2.068400      0.8454000      -1.592100    
 C   -1.338700      0.5626000       1.533200    
 C   -2.183600       1.638700      0.8504000    
 C   0.6101000      -1.617700     -0.1056000    
 C   0.4408000       1.148400      -1.225700    
 C    1.699100     -0.6098000      0.1158000    
 C    1.639600      0.6671000     -0.4554000    
 C   -4.085200     -0.6602000       1.179200    
 C    2.834300     -0.9796000      0.8579000    
 C    2.712000       1.555500     -0.2650000    
 C    3.891100     -8.9299999E-02   1.040700    
 C    3.830600       1.179800      0.4773000    
 H   -1.294300      -1.848300     -0.9858000    
 H   -1.664000      -1.598900       1.449500    
 H  -0.4795000     -0.3152000      -2.446100    
 H   -3.869200       1.351300     -0.5080000    
 H   -1.940500       1.856200      -1.998400    
 H   -2.661500      0.2954000      -2.336500    
 H  -0.2782000      0.8151000       1.544500    
 H   -1.649900      0.4778000       2.582000    
 H   -2.915500       2.030500       1.567900    
 H   -1.593700       2.493500      0.5121000    
 H   0.5195000      -2.278300      0.7642000    
 H   6.3500002E-02   2.035600     -0.7095000    
 H   0.7832000       1.503200      -2.207700    
 H   -3.992200     -3.3900000E-02   2.072000    
 H   -4.123300      -1.705800       1.504100    
 H   -5.051800     -0.4422000      0.7117000    
 H    1.221200      -1.854700      -1.965000    
 H    2.901400      -1.973400       1.294600    
 H    2.674900       2.554400     -0.6938000    
 H    4.760900     -0.3887000       1.617900    
 H    4.650800       1.877800      0.6161000    


%chk=000042301-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042301

0 1
O 1.027287 -2.635694 -0.997732
N -3.074532 -0.502880 0.167104
C -0.759131 -0.998205 -0.412290
C -1.716850 -0.705109 0.779210
C -0.661512 0.198496 -1.410548
C -2.945546 0.900441 -0.348974
C -2.066573 0.845914 -1.628596
C -1.425562 0.620237 1.573530
C -2.308463 1.692063 0.847349
C 0.617335 -1.579795 -0.013726
C 0.406116 1.265194 -1.033832
C 1.758171 -0.584250 0.135441
C 1.684936 0.726315 -0.407473
C -4.198279 -0.703597 1.110507
C 2.954667 -1.016279 0.767417
C 2.823552 1.570282 -0.312221
C 4.074063 -0.167940 0.865968
C 4.007727 1.136641 0.316665
H -1.266923 -1.822839 -0.947504
H -1.738972 -1.590007 1.442303
H -0.338755 -0.231917 -2.382374
H -3.943155 1.292746 -0.618659
H -1.946529 1.866931 -2.044845
H -2.629279 0.250895 -2.371919
H -0.352230 0.873311 1.578861
H -1.734103 0.508700 2.628557
H -3.106851 2.055051 1.520117
H -1.741364 2.579571 0.518706
H 0.504901 -2.171834 0.913736
H -0.024687 2.006800 -0.335879
H 0.659746 1.842137 -1.945873
H -4.172525 -0.061921 2.024568
H -4.207726 -1.758673 1.437827
H -5.149816 -0.506733 0.584579
H 1.420374 -2.179876 -1.786136
H 2.998510 -2.036436 1.166842
H 2.771842 2.582249 -0.734157
H 4.989025 -0.514769 1.358742
H 4.873011 1.806179 0.380412


