%chk=000107137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107137

0 1
 O    4.749600      0.7613000      0.8708000    
 N   -2.126200      3.2200001E-02 -9.5100001E-02
 C   0.3938000      -1.459500      3.9999999E-04
 C  -0.5692000      -1.526800      -1.230300    
 C   -1.325400     -0.1813000      -1.317700    
 C  -0.4304000      -1.159300       1.279900    
 C   -3.999200       1.170800      0.9774000    
 C   -1.339300      6.9200002E-02   1.138700    
 C   -3.024900       1.178700     -0.1849000    
 C  -0.3118000      0.9249000      -1.675900    
 C    1.390000     -0.2970000     -0.2039000    
 C   -4.890900     -5.5999998E-03   1.135100    
 C   -5.446600       1.311400      0.6783000    
 C    1.025200      0.8261000     -0.9801000    
 C    1.116800      -2.813800      0.1755000    
 C   -1.557900      -2.705000      -1.232500    
 C    2.650600     -0.2847000      0.4225000    
 C    1.928600       1.890900      -1.145900    
 C    3.535700      0.7829000      0.2552000    
 C    3.177300       1.868400     -0.5330000    
 C    5.054000     -0.3837000       1.665600    
 H   3.5000000E-02  -1.641900      -2.143200    
 H   -2.032300     -0.2479000      -2.156500    
 H   0.2348000      -1.008200       2.140500    
 H   -1.052900      -2.027800       1.531900    
 H   -3.622600       1.665100       1.863900    
 H   -1.986500      6.5700002E-02   2.022900    
 H  -0.7437000      0.9882000       1.200700    
 H   -2.482900       2.131300     -0.1736000    
 H   -3.582100       1.137500      -1.129000    
 H  -0.7419000       1.918500      -1.510100    
 H  -0.1120000      0.8555000      -2.754500    
 H   -5.125700     -0.3302000       2.141600    
 H   -4.852200     -0.8075000      0.4080000    
 H   -5.773500       1.388700     -0.3512000    
 H   -6.056600       1.869100       1.378800    
 H    1.759500      -3.033500     -0.6846000    
 H    1.736300      -2.843600       1.077700    
 H   0.4100000      -3.641900      0.2887000    
 H   -2.252700      -2.617400      -2.075500    
 H   -1.036400      -3.658600      -1.357100    
 H   -2.154700      -2.759000     -0.3179000    
 H    2.899700      -1.126700       1.054400    
 H    1.654800       2.749000      -1.755700    
 H    3.860700       2.701700     -0.6688000    
 H    4.377300     -0.4714000       2.522400    
 H    6.060600     -0.2357000       2.070700    
 H    5.086300      -1.297600       1.062400    


%chk=000107137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107137

0 1
O 4.874807 0.798913 0.832092
N -2.109010 0.018241 -0.035270
C 0.421626 -1.489921 0.010587
C -0.568022 -1.552562 -1.210514
C -1.328011 -0.200874 -1.287761
C -0.405021 -1.195858 1.307853
C -4.133172 1.126341 0.977222
C -1.276025 0.070082 1.189565
C -3.090227 1.124089 -0.137198
C -0.321693 0.925809 -1.668436
C 1.410677 -0.318639 -0.211629
C -5.198956 0.026212 1.018857
C -5.595713 1.462870 0.638622
C 1.032708 0.820792 -0.974991
C 1.159651 -2.841334 0.178940
C -1.558694 -2.736912 -1.203414
C 2.691820 -0.336736 0.405906
C 1.952122 1.895338 -1.110915
C 3.588892 0.743966 0.259455
C 3.219467 1.874168 -0.508588
C 5.305246 -0.346041 1.634044
H 0.050641 -1.631483 -2.130374
H -2.079001 -0.268761 -2.101062
H 0.287598 -1.084608 2.164962
H -1.057769 -2.064471 1.518333
H -3.781179 1.496100 1.947472
H -1.949291 0.123563 2.064183
H -0.628704 0.982137 1.218018
H -2.595791 2.130982 -0.149830
H -3.607823 1.012598 -1.110936
H -0.769974 1.919045 -1.465184
H -0.165922 0.886945 -2.767172
H -5.518425 -0.360491 1.991052
H -5.161500 -0.725731 0.225007
H -5.845181 1.665173 -0.408390
H -6.174466 2.049820 1.357901
H 1.778194 -3.075027 -0.707502
H 1.817626 -2.844500 1.066885
H 0.435735 -3.661412 0.323812
H -2.199127 -2.686109 -2.104747
H -1.047038 -3.715004 -1.222748
H -2.227729 -2.697066 -0.327088
H 2.987058 -1.205487 0.999160
H 1.658256 2.771300 -1.703305
H 3.926273 2.702687 -0.613134
H 4.645373 -0.497409 2.511273
H 6.320538 -0.094190 1.975098
H 5.335256 -1.275048 1.030890


