%chk=000038008.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038008

0 1
 O    4.125300     -0.3461000      9.3000000E-03
 N   -1.362100     -0.5804000     -1.7000000E-03
 N   -3.643700      -1.169700     -0.3798000    
 C   -1.685700      0.7548000     -3.8999999E-03
 C   -3.108100       1.194400     -2.2500001E-02
 C  -0.5103000       1.471900     -1.8900000E-02
 C   7.7999998E-03 -0.7413000      6.6999998E-03
 C   -2.340800      -1.658700      7.4500002E-02
 C   0.5661000      0.5417000     -1.0500000E-02
 C   -4.044200      4.1499998E-02  0.3399000    
 C   0.8031000      -1.897300      3.2699998E-02
 C  -0.3901000       2.944900     -4.0199999E-02
 C    1.969300      0.6759000     -1.2000000E-02
 C    2.768400     -0.4717000      9.1000004E-03
 C    2.191800      -1.738400      3.2499999E-02
 C    4.653200      0.9785000     -1.5200000E-02
 H   -3.262700       2.023800      0.6767000    
 H   -3.347700       1.562400      -1.028100    
 H   -2.005000      -2.468900     -0.5792000    
 H   -2.370400      -2.005200       1.113100    
 H   -4.038500     -0.1410000       1.422000    
 H   -5.070400      0.3096000      6.5700002E-02
 H   -4.340300      -1.898300     -0.2262000    
 H   0.3625000      -2.888700      5.1300000E-02
 H  -0.1312000       3.318900      0.9556000    
 H   0.3896000       3.263600     -0.7398000    
 H   -1.323000       3.425800     -0.3511000    
 H    2.363600       1.684700     -2.5900001E-02
 H    2.824600      -2.622700      5.0900001E-02
 H    4.377900       1.539100      0.8846000    
 H    4.377900       1.505700     -0.9350000    
 H    5.744700      0.8908000     -1.3600000E-02


%chk=000038008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038008

0 1
O 4.185633 -0.394263 0.036990
N -1.400836 -0.609084 -0.067752
N -3.698067 -1.209595 -0.308583
C -1.730231 0.762987 -0.045541
C -3.180549 1.177532 -0.093804
C -0.552963 1.522192 -0.026826
C -0.006708 -0.742513 -0.031631
C -2.373219 -1.700009 0.087045
C 0.551978 0.582267 -0.018326
C -4.092023 0.028408 0.400472
C 0.808547 -1.895996 -0.009575
C -0.443905 3.025203 -0.035661
C 1.964369 0.749061 0.000731
C 2.771933 -0.407392 0.016375
C 2.202706 -1.717198 0.013015
C 4.836226 0.912859 0.040464
H -3.340442 2.085194 0.517628
H -3.468381 1.423413 -1.135057
H -2.085055 -2.544857 -0.566129
H -2.334316 -2.053479 1.151497
H -3.998694 -0.069733 1.510774
H -5.146676 0.253735 0.166741
H -4.410311 -1.946079 -0.311917
H 0.385471 -2.906498 -0.011177
H 0.166072 3.393304 0.812448
H 0.034891 3.396572 -0.963277
H -1.435791 3.505584 0.035834
H 2.397600 1.753718 0.003689
H 2.884519 -2.572718 0.027582
H 4.558773 1.502294 0.937548
H 4.585083 1.493787 -0.869786
H 5.915966 0.700906 0.057213


