%chk=000161590.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161590

1 1
 O   -2.330000      0.2417000      0.8239000    
 O   -4.083500      -1.097600      -2.007300    
 O   -4.796700       1.278700       1.657700    
 O    4.317400       1.456400     -0.2738000    
 N  -6.9499999E-02  0.1941000      5.5700000E-02
 N    1.276900       1.858400     -0.2997000    
 N    1.629800      -1.573100      0.3808000    
 N    3.880400     -0.7495000      0.1761000    
 N    3.418100      -3.013700      0.6365000    
 C   -1.299900     -0.5709000      0.2271000    
 C   -1.851400      -1.094900      -1.087500    
 C   -3.335000      -1.133700     -0.8104000    
 C   -3.519200      0.1219000      2.6100000E-02
 C    1.206700     -0.2979000      0.1327000    
 C   -4.736400      7.1400002E-02  0.9322000    
 C  -1.3300000E-02   1.506800     -0.2075000    
 C    2.060400      0.7509000     -9.2399999E-02
 C    3.483100      0.5764000     -8.2400002E-02
 C    1.745900       3.200300     -0.5751000    
 C    3.015800      -1.725800      0.3871000    
 H   -1.113900      -1.394400      0.9262000    
 H   -1.438700      -2.071400      -1.359400    
 H   -1.623400     -0.4144000      -1.917600    
 H   -3.594200      -2.038200     -0.2485000    
 H   -3.573600       1.019500     -0.6036000    
 H   -4.669700     -0.7516000       1.651200    
 H   -5.658300     -3.7700001E-02  0.3537000    
 H  -0.8569000       2.167700     -0.3302000    
 H   -3.851800     -0.2861000      -2.489900    
 H    1.037300      -2.379700      0.5495000    
 H   0.8953000       3.877000     -0.6944000    
 H    2.363100       3.546700      0.2583000    
 H    2.331500       3.197200      -1.498400    
 H   -3.971900       1.360400       2.166500    
 H    2.746700      -3.756500      0.7977000    
 H    4.401700      -3.259200      0.6680000    


%chk=000161590-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161590

1 1
O -2.446813 0.325349 0.955708
O -3.787251 -1.794644 -1.782132
O -4.835575 2.043640 0.433701
O 4.198769 1.593056 -0.623122
N -0.115125 0.163093 0.445291
N 1.210976 1.922292 0.107700
N 1.630189 -1.619723 0.077829
N 3.839424 -0.737009 -0.456662
N 3.497531 -3.037750 -0.308365
C -1.360960 -0.623010 0.818816
C -1.755071 -1.655144 -0.267601
C -3.282548 -1.389072 -0.489249
C -3.420695 0.121436 -0.178168
C 1.162991 -0.321993 0.158444
C -4.796002 0.589896 0.287884
C -0.054224 1.542093 0.415216
C 2.003041 0.771658 -0.060752
C 3.435038 0.615038 -0.403820
C 1.697775 3.317990 -0.026910
C 3.021557 -1.757688 -0.236803
H -1.167536 -1.063827 1.812876
H -1.577985 -2.696652 0.046358
H -1.215737 -1.468222 -1.214539
H -3.878119 -1.977156 0.229160
H -3.092454 0.740960 -1.040742
H -5.078601 0.063286 1.221708
H -5.533940 0.343852 -0.495090
H -0.902724 2.185596 0.621279
H -3.397294 -1.242461 -2.508761
H 1.022873 -2.430543 0.208997
H 0.855381 4.007291 0.133547
H 2.490009 3.501944 0.714168
H 2.125911 3.460561 -1.030107
H -4.499304 2.297657 1.328882
H 2.943068 -3.872178 -0.128359
H 4.486228 -3.140412 -0.537482


