%chk=000037045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037045

0 1
 O   0.4970000      -3.436600     -0.1193000    
 O    2.507200       2.562300     -0.9698000    
 O    3.497500       2.142100      0.9250000    
 N    1.059200      -1.335300      0.1573000    
 N    1.346400      -2.578800     -0.3820000    
 N    3.145500     -0.5994000     -0.7911000    
 N    1.709300      0.9465000      0.3413000    
 N    2.613600       1.916000      8.3999999E-02
 C   -2.544200     -0.1866000      0.6510000    
 C   -1.249600     -0.5677000     -7.5800002E-02
 C   -3.596100      0.3340000     -0.3320000    
 C  -0.1525000      -1.030500      0.8793000    
 C   -4.901200      0.7588000      0.3445000    
 C   -5.923300       1.342300     -0.6188000    
 C    1.991000     -0.2671000     -9.3500003E-02
 H   -2.330600      0.5858000       1.399600    
 H   -2.937600      -1.058800       1.186500    
 H   -1.464100      -1.359900     -0.8043000    
 H  -0.8959000      0.2950000     -0.6544000    
 H   -3.813500     -0.4413000      -1.077000    
 H   -3.183900       1.191200     -0.8789000    
 H  -0.5045000      -1.904700       1.442500    
 H   2.3900000E-02 -0.2673000       1.647800    
 H   -5.343900     -0.1059000      0.8532000    
 H   -4.682900       1.504700       1.118100    
 H   -5.527500       2.234400      -1.114500    
 H   -6.193800      0.6129000      -1.388700    
 H   -6.833800       1.625900     -8.1900001E-02
 H    3.351200      -1.543100      -1.097900    
 H    3.850400      9.6000001E-02  -1.010500    


%chk=000037045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037045

0 1
O 0.458838 -3.439558 -0.207926
O 3.940452 1.718108 -0.486428
O 2.462029 3.069194 0.605178
N 1.110581 -1.296547 0.102357
N 1.382455 -2.590774 -0.408706
N 3.238772 -0.776049 -0.806428
N 1.835865 0.889309 0.328209
N 2.797796 1.933408 0.134683
C -2.554368 -0.127093 0.599358
C -1.241365 -0.422388 -0.160080
C -3.665147 0.417575 -0.326820
C -0.156296 -0.964079 0.799388
C -4.984970 0.715520 0.420903
C -6.090819 1.258333 -0.509687
C 2.136428 -0.344884 -0.147034
H -2.356719 0.609088 1.405404
H -2.913346 -1.052587 1.095605
H -1.432453 -1.161094 -0.962340
H -0.868475 0.504591 -0.634663
H -3.861307 -0.315013 -1.137047
H -3.309061 1.344268 -0.822322
H -0.499152 -1.901357 1.273470
H 0.077204 -0.215249 1.571683
H -5.339748 -0.210422 0.917694
H -4.788111 1.447648 1.230230
H -5.773451 2.200342 -0.995137
H -6.327295 0.531862 -1.309785
H -7.023410 1.463205 0.047078
H 3.294534 -1.753392 -1.097122
H 3.963836 -0.067067 -0.980016


