%chk=000127882.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127882

0 1
 O    2.701400       2.793200     -0.9568000    
 N    2.344200     -0.7559000      9.5299996E-02
 N   0.5748000      -2.089100     -7.1500003E-02
 N   -2.166000      -1.085200     -8.6300001E-02
 N   -2.544300       1.683500      0.1212000    
 N    2.772000      -3.062100     -7.3700003E-02
 C    1.254300      7.5099997E-02  0.1243000    
 C   0.1615000     -0.7783000      1.9200001E-02
 C    1.131100       1.458200      0.2298000    
 C   -1.132000     -0.2221000      1.8400000E-02
 C   -1.301700       1.169100      0.1232000    
 C  -0.1707000       1.978300      0.2264000    
 C    1.887000      -2.038600     -2.2399999E-02
 C    2.289200       2.391700      0.3437000    
 C    3.730700     -0.3487000      0.1752000    
 C   -3.393300     -0.5366000     -8.4700003E-02
 C   -3.578600      0.8220000      1.7100001E-02
 C   -4.559600      -1.454500     -0.1984000    
 H  -0.3096000       3.056700      0.3047000    
 H    1.996800       3.296700      0.8888000    
 H    3.135400       1.985300      0.8968000    
 H    4.407500      -1.159800     -9.0999998E-02
 H    3.909900      0.4513000     -0.5446000    
 H    3.938900     -3.4600001E-02   1.200500    
 H   -4.563400       1.274500      1.9099999E-02
 H    3.777200      -2.968200      6.6999998E-03
 H    2.445000      -4.018800     -0.1687000    
 H   -5.204800      -1.361700      0.6809000    
 H   -5.142200      -1.221100      -1.095200    
 H   -4.233500      -2.497300     -0.2695000    
 H    2.553900       2.060800      -1.578600    


%chk=000127882-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127882

0 1
O 3.156955 2.514354 -0.838550
N 2.436265 -0.755132 0.097367
N 0.611438 -2.158847 -0.025074
N -2.251747 -1.159073 -0.084426
N -2.586160 1.694716 0.110589
N 2.801175 -3.163874 -0.031821
C 1.291052 0.076920 0.120705
C 0.180867 -0.825322 0.027263
C 1.134038 1.494292 0.232524
C -1.157006 -0.315618 0.015348
C -1.316803 1.125828 0.114344
C -0.180023 1.986346 0.223210
C 1.956364 -2.074098 0.022398
C 2.287925 2.467098 0.366086
C 3.855591 -0.376239 0.081824
C -3.476286 -0.583513 -0.087421
C -3.627462 0.848053 0.011095
C -4.685511 -1.483748 -0.196785
H -0.373330 3.061265 0.307377
H 1.898001 3.477943 0.591776
H 2.984374 2.180671 1.172301
H 4.415125 -1.090065 -0.549673
H 3.964637 0.624640 -0.368233
H 4.291695 -0.375170 1.098788
H -4.628930 1.295232 0.007488
H 3.773539 -3.112065 0.254616
H 2.357745 -4.074301 -0.121759
H -5.352997 -1.368646 0.677993
H -5.283566 -1.246869 -1.097015
H -4.355114 -2.532119 -0.256008
H 2.589250 2.711141 -1.626427


