%chk=000135680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135680

0 1
 O    1.691700      -1.147100       1.755300    
 N    2.187300     -0.8640000     -0.4921000    
 N  -0.8286000      0.4976000      0.2817000    
 N    4.925700       1.604100      3.9000001E-02
 C   2.0199999E-02  -1.717600      0.2130000    
 C   -1.034900     -0.8186000      8.2199998E-02
 C   -2.298900      -1.328500     -0.2597000    
 C  -0.1561000      -3.089100      1.3600000E-02
 C    3.535700     -0.3779000     -0.3065000    
 C    3.561900       1.137800     -0.1757000    
 C   -3.146100      0.9471000     -0.1835000    
 C   -3.354500     -0.4204000     -0.3896000    
 C    1.348600      -1.219300      0.5661000    
 C   -2.479800      -2.708000     -0.4608000    
 C   -1.849000       1.367900      0.1553000    
 C   -1.408600      -3.585700     -0.3239000    
 C   0.9827000      -4.046800      0.1560000    
 C   -4.188700       1.881900     -0.3072000    
 C   -1.635000       2.728200      0.3618000    
 C    4.954000       3.058900      0.2038000    
 C    5.789800       1.203200      -1.072900    
 C   -3.948500       3.236200     -9.5500000E-02
 C   -2.669000       3.659900      0.2397000    
 H    3.966200     -0.8559000      0.5810000    
 H    4.079700     -0.7314000      -1.186900    
 H    3.114100       1.597300      -1.067400    
 H    2.933700       1.429400      0.6760000    
 H   -4.347800     -0.7814000     -0.6536000    
 H   -3.457100      -3.105400     -0.7256000    
 H   -1.569400      -4.648100     -0.4841000    
 H    1.839100     -0.9474000      -1.443100    
 H   0.6631000      -5.083800      4.4000000E-03
 H    1.758800      -3.835200     -0.5867000    
 H    1.414100      -3.987800       1.160700    
 H   -5.193800       1.559100     -0.5693000    
 H  -0.6409000       3.084900      0.6252000    
 H    4.331300       3.362100       1.053000    
 H    4.597700       3.583200     -0.6904000    
 H    5.970800       3.402500      0.4242000    
 H    5.374400       1.481400      -2.048500    
 H    5.999700      0.1292000      -1.060900    
 H    6.772700       1.681800     -0.9829000    
 H   -4.755600       3.955800     -0.1917000    
 H   -2.470700       4.714500      0.4070000    


%chk=000135680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135680

0 1
O 2.534680 -2.134476 0.036561
N 1.746635 -0.080476 -0.691051
N -0.826334 0.399982 -0.641910
N 5.178460 1.424858 0.007204
C 0.104224 -1.774827 0.046666
C -1.033011 -0.878882 -0.182431
C -2.396341 -1.342857 0.075601
C -0.154069 -3.088272 0.514998
C 3.095710 0.420769 -0.975569
C 3.841055 0.867584 0.310004
C -3.259576 0.851712 -0.623781
C -3.478911 -0.462719 -0.152121
C 1.550122 -1.347597 -0.197869
C -2.602507 -2.678838 0.551118
C -1.878509 1.248155 -0.860660
C -1.515168 -3.509197 0.757453
C 0.910432 -4.133169 0.792694
C -4.316671 1.793882 -0.875852
C -1.612202 2.576775 -1.341532
C 6.133600 1.276226 1.122930
C 5.131942 2.810586 -0.496683
C -4.024143 3.072321 -1.341404
C -2.659710 3.464320 -1.575334
H 3.695728 -0.374351 -1.451761
H 3.003509 1.262329 -1.685926
H 3.200009 1.591136 0.876661
H 3.964864 -0.029832 0.940815
H -4.501453 -0.810820 0.041197
H -3.623698 -3.027533 0.744856
H -1.672905 -4.531159 1.119114
H 0.876447 0.487547 -0.824561
H 0.439374 -5.072871 1.132231
H 1.527633 -4.330972 -0.099607
H 1.630608 -3.785924 1.552389
H -5.354215 1.488060 -0.695470
H -0.569940 2.862439 -1.515426
H 6.201611 0.213248 1.412906
H 5.856190 1.867925 2.033268
H 7.137600 1.606905 0.798648
H 4.745119 3.540877 0.261503
H 4.485960 2.875170 -1.389549
H 6.146148 3.132729 -0.794675
H -4.829734 3.788963 -1.533213
H -2.448563 4.474872 -1.941931


