%chk=000024443.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024443

0 1
 O    2.560800      -1.806200      0.2974000    
 O    2.708000       2.103200      -1.366200    
 O   0.3749000      -1.831900      -1.293200    
 O   -2.854200      0.8311000       1.305800    
 N  -0.9047000      -1.217300      0.5421000    
 N   -3.735400       1.777700     -0.5946000    
 C    1.937100      0.5532000      0.3695000    
 C    1.501500     -0.9172000      0.6421000    
 C    2.310000      0.7589000      -1.119200    
 C    3.175600      0.8697000       1.241800    
 C   0.8245000       1.542700      0.7692000    
 C   0.2813000      -1.367600     -0.1584000    
 C   -2.190300      -1.598100      3.8000001E-03
 C   -2.858700     -0.4582000     -0.7522000    
 C   -3.130300      0.7600000      0.1119000    
 H    1.305500      -1.060700       1.711200    
 H    1.472100      0.5339000      -1.786500    
 H    3.151600      0.1240000      -1.412300    
 H    4.032200      0.2455000      0.9651000    
 H    3.485600       1.915600       1.138900    
 H    2.962500      0.6945000       2.302500    
 H  -3.1500001E-02   1.477000      8.9800000E-02
 H   0.4662000       1.339800       1.784900    
 H    1.175400       2.580500      0.7538000    
 H  -0.8853000     -0.8163000       1.475100    
 H    2.679400      -1.791000     -0.6666000    
 H   -2.809600      -1.913900      0.8501000    
 H   -2.059500      -2.458200     -0.6615000    
 H    1.907900       2.654800      -1.360600    
 H   -2.226800     -0.1431000      -1.591600    
 H   -3.814100     -0.8058000      -1.162300    
 H   -3.978800       2.653100     -0.1432000    
 H   -3.957600       1.695600      -1.581600    


%chk=000024443-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000024443

0 1
O 2.601823 -1.851743 0.653881
O 3.175691 1.818988 -1.548495
O 0.593949 -2.123605 -1.092794
O -2.787283 0.774966 1.382276
N -0.894995 -0.936937 0.252157
N -4.624023 1.385490 0.115962
C 2.103214 0.576646 0.368685
C 1.545571 -0.844658 0.759472
C 2.693284 0.510555 -1.070772
C 3.230191 0.927708 1.372698
C 0.990860 1.653584 0.444495
C 0.361994 -1.339623 -0.107343
C -2.104386 -1.347148 -0.476974
C -2.959179 -0.132324 -0.906774
C -3.440309 0.699055 0.291894
H 1.236554 -0.804693 1.822883
H 1.949566 0.087730 -1.778073
H 3.588193 -0.130831 -1.074918
H 3.931790 0.081520 1.468213
H 3.786093 1.812377 1.014119
H 2.816096 1.154035 2.373779
H 0.245908 1.554064 -0.368323
H 0.445726 1.605717 1.406108
H 1.440107 2.662023 0.386869
H -1.061113 -0.312275 1.051619
H 2.400454 -2.364308 -0.182625
H -2.710228 -2.020863 0.159641
H -1.774942 -1.917858 -1.361562
H 2.395211 2.404717 -1.715514
H -2.352918 0.524970 -1.560473
H -3.820713 -0.484717 -1.505045
H -4.959846 1.981714 0.873249
H -5.167037 1.321024 -0.743315


