%chk=000011444.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011444

0 1
 O   -1.373400       2.866200     -0.6855000    
 O   0.6053000       3.429300      0.2514000    
 O   -2.044400      0.2037000       1.513200    
 N  -0.9687000      0.2901000     -0.5414000    
 N    3.039200     -0.5508000      0.4236000    
 N    2.741300      -2.628200     -0.3028000    
 N   -5.165900      -2.120600     -0.1756000    
 C   0.1571000       1.078200     -9.9699996E-02
 C    1.411600      0.7809000     -0.9324000    
 C    2.084500     -0.5091000     -0.5241000    
 C  -0.1639000       2.564700     -0.1553000    
 C   -1.989000     -8.4399998E-02  0.3206000    
 C    1.901300      -1.770800     -0.9682000    
 C   -3.050700     -0.9054000     -0.3900000    
 C    3.412900      -1.861800      0.5276000    
 C    3.582700      0.5428000       1.193500    
 C   -4.179900      -1.325000      0.5450000    
 H   0.3302000      0.8505000      0.9598000    
 H    2.134200       1.602700     -0.8553000    
 H    1.153000      0.7219000      -1.998500    
 H   -1.045300      6.2799998E-02  -1.528900    
 H    1.219000      -2.129700      -1.724700    
 H   -3.447400     -0.3046000      -1.218000    
 H   -2.565000      -1.790900     -0.8187000    
 H    4.173300      -2.199300       1.218900    
 H    4.263600      0.1494000       1.952800    
 H    4.127600       1.205100      0.5163000    
 H    2.761400       1.074200       1.680100    
 H   -4.666100     -0.4417000      0.9745000    
 H   -3.781800      -1.915200       1.377800    
 H   -1.537500       3.833200     -0.6983000    
 H   -5.565400      -1.568400     -0.9336000    
 H   -5.938100      -2.348800      0.4491000    


%chk=000011444-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011444

0 1
O -1.023762 3.113973 -1.821553
O 0.555162 4.049069 -0.392159
O -0.905376 -0.253515 1.471452
N -0.933541 0.722217 -0.636424
N 2.292312 -0.820906 0.520926
N 2.361738 -2.541501 -0.963645
N -4.538926 -2.381234 0.512405
C 0.182766 1.614061 -0.338224
C 1.557139 1.147419 -0.973701
C 1.902787 -0.288361 -0.723867
C -0.064556 3.044501 -0.797791
C -1.401469 -0.187761 0.300943
C 1.960236 -1.368878 -1.615917
C -2.529712 -1.102183 -0.168291
C 2.547757 -2.174477 0.321168
C 2.325704 -0.119929 1.812585
C -3.566033 -1.363761 0.948296
H 0.292031 1.625179 0.760455
H 2.336777 1.837373 -0.595304
H 1.503175 1.291380 -2.068373
H -1.376495 0.788401 -1.554104
H 1.747773 -1.363326 -2.683583
H -3.023771 -0.690328 -1.070860
H -2.095497 -2.079441 -0.453661
H 2.856306 -2.835866 1.127924
H 2.926610 -0.708388 2.524834
H 2.797574 0.871976 1.701856
H 1.299911 -0.005045 2.205154
H -4.024570 -0.392879 1.253190
H -3.021293 -1.746336 1.828343
H -1.119771 4.056967 -2.124788
H -5.178728 -2.076538 -0.227009
H -5.026557 -2.860864 1.272924


