%chk=000173439.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173439

0 1
 O    2.063100      -1.866200      -1.793100    
 O    2.877100      -2.188100      0.2985000    
 O    1.861000       2.651900     -0.2660000    
 O   -5.021300       1.483000     -0.2236000    
 N  -0.2050000      -1.267400      0.1818000    
 N    4.111100       2.221600     -0.4682000    
 C    1.062300     -0.5988000     -3.5000000E-02
 C    1.467900      0.2077000       1.207300    
 C    2.815200      0.9342000       1.122500    
 C   -1.416900     -0.5756000      8.0200002E-02
 C    2.098600      -1.620900     -0.4574000    
 C  -0.1927000      -2.694000      0.4978000    
 C   -2.632400      -1.241800      0.2800000    
 C   -1.428800      0.7916000     -0.2237000    
 C    2.861400       2.023900      7.2600000E-02
 C   -3.840500     -0.5521000      0.1776000    
 C   -2.637000       1.481400     -0.3260000    
 C   -3.842900      0.8096000     -0.1253000    
 H    1.008100      8.5199997E-02 -0.8917000    
 H   0.6957000      0.9385000       1.471400    
 H    1.521400     -0.4764000       2.065900    
 H    3.019800       1.416300       2.086400    
 H    3.626400      0.2190000      0.9518000    
 H  -0.4668000      -3.284800     -0.3827000    
 H  -0.8834000      -2.928600       1.315900    
 H   0.7621000      -3.062800      0.8780000    
 H   -2.695600      -2.302900      0.4982000    
 H  -0.5327000       1.373600     -0.4008000    
 H   -4.777400      -1.081000      0.3308000    
 H   -2.626100       2.541700     -0.5642000    
 H    2.729000      -2.535400      -2.059300    
 H    4.923700       1.690800     -0.1716000    
 H    4.263000       2.921700      -1.186700    
 H   -4.835800       2.413400     -0.4382000    


%chk=000173439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173439

0 1
O 1.296830 -2.230407 -1.779570
O 3.122565 -2.091344 -0.361391
O 1.682584 2.369927 -0.219955
O -5.086604 1.445712 -0.690908
N -0.197064 -1.231014 0.441639
N 3.960124 2.767978 -0.176097
C 1.111653 -0.670035 0.073946
C 1.864378 -0.070951 1.292257
C 3.133661 0.734635 0.946090
C -1.397113 -0.543867 0.133259
C 1.966045 -1.712442 -0.666451
C -0.251375 -2.602870 0.955800
C -2.649520 -1.228933 0.142058
C -1.404069 0.854137 -0.157021
C 2.846127 2.009793 0.140019
C -3.855623 -0.551825 -0.126878
C -2.612021 1.523804 -0.438715
C -3.842484 0.826543 -0.422978
H 0.940052 0.142494 -0.655141
H 1.143385 0.581894 1.815137
H 2.143701 -0.885994 1.986188
H 3.640722 1.030076 1.886333
H 3.847841 0.094537 0.394175
H -0.545492 -3.342189 0.179554
H -0.968133 -2.676406 1.794896
H 0.742070 -2.893282 1.340254
H -2.690640 -2.303322 0.341996
H -0.478301 1.439760 -0.146331
H -4.810854 -1.085839 -0.122008
H -2.584716 2.599721 -0.658496
H 1.886111 -2.891623 -2.235547
H 4.900070 2.487714 0.098796
H 3.831544 3.626902 -0.711017
H -4.953851 2.405018 -0.890691


