%chk=000127169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127169

0 1
 O   -2.814500     -0.2488000      -1.173800    
 O   -3.899800      0.2215000      0.7786000    
 O    1.007400       2.469900      -1.197400    
 N    1.118500      -1.846500     -3.1000001E-03
 N   0.8435000      0.9482000      0.5564000    
 C  -0.1743000      -1.274500      0.4477000    
 C  -0.2943000      0.2025000      6.4300001E-02
 C    1.280500      -1.698100      -1.522300    
 C    2.296500      -1.132300      0.6742000    
 C    1.204300      -3.339900      0.3418000    
 C   -1.608700      0.8386000      0.5302000    
 C   -2.906000      0.2088000      2.4000001E-03
 C    1.395000       2.020400     -0.1221000    
 C    2.551900       2.630300      0.6230000    
 H  -0.2338000      -1.402400       1.536300    
 H  -0.9771000      -1.868300     -4.3000001E-03
 H  -0.2953000      0.2939000      -1.027800    
 H    1.428900     -0.6493000      -1.788200    
 H    2.165500      -2.267200      -1.824800    
 H   0.3876000      -2.106700      -2.004300    
 H    3.134400      -1.841200      0.6821000    
 H    2.656100     -0.2962000      7.4600004E-02
 H    2.056800     -0.9208000       1.719600    
 H    1.136600      -3.440900       1.429000    
 H   0.3674000      -3.849300     -0.1449000    
 H    2.155900      -3.735700     -2.5200000E-02
 H   -1.632000       1.896000      0.2354000    
 H   -1.642300      0.8292000       1.627900    
 H    1.086300      0.8367000       1.536400    
 H    3.310900       2.954000     -9.4899997E-02
 H    2.194500       3.494600       1.189300    
 H    3.013700       1.918100       1.312400    


%chk=000127169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127169

0 1
O -1.800794 -1.551059 -0.680048
O -3.737298 -0.741553 0.352524
O 2.502875 1.169695 -0.358054
N 1.150076 -1.856380 -0.161754
N 0.514230 1.676323 0.709334
C 0.467303 -0.826337 0.818092
C -0.188193 0.456646 0.223441
C 0.988380 -1.505175 -1.641729
C 2.639883 -1.929984 0.155107
C 0.496661 -3.222772 0.063405
C -1.682829 0.531776 0.599287
C -2.500620 -0.697111 0.042893
C 1.807637 1.975961 0.351459
C 2.367439 3.305297 0.840005
H 1.259072 -0.538671 1.529365
H -0.308393 -1.401009 1.342045
H -0.119103 0.443364 -0.873764
H 1.521803 -0.562923 -1.833968
H 1.440148 -2.325440 -2.224396
H -0.098273 -1.434686 -1.827112
H 3.110747 -2.662561 -0.520085
H 3.064959 -0.926390 -0.000838
H 2.770293 -2.253048 1.200543
H 0.634329 -3.512784 1.117700
H -0.574337 -3.095904 -0.182067
H 0.984659 -3.959343 -0.595795
H -2.136877 1.450095 0.179919
H -1.822832 0.571859 1.698377
H -0.030115 2.343917 1.259195
H 3.314667 3.128175 1.377115
H 2.602135 3.939180 -0.032983
H 1.676469 3.855442 1.501290


