%chk=000149503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149503

0 1
 O    1.222300      0.2703000       1.443100    
 O    3.945200     -0.8141000      -1.367200    
 O    5.882600      -1.681900      0.3018000    
 N    2.183400       1.137500     -0.4861000    
 N    5.174200     -0.5015000      0.5633000    
 C   -2.684000      0.3742000     -0.3946000    
 C   -3.860400     -0.1428000      0.4367000    
 C   -1.374000      0.3040000      0.3912000    
 C   -5.163300     -0.1070000     -0.3652000    
 C  -0.1947000      0.7882000     -0.4493000    
 C   -6.369100     -0.6373000      0.4134000    
 C    1.125900      0.6931000      0.2942000    
 C   -7.652400     -0.6697000     -0.4023000    
 C    3.550700       1.151800     -2.0099999E-02
 C    4.213400     -0.1649000     -0.3591000    
 H   -2.875500       1.410000     -0.7000000    
 H   -2.593200     -0.2218000      -1.310900    
 H   -3.969600      0.4658000       1.342300    
 H   -3.659500      -1.171400      0.7597000    
 H   -1.194700     -0.7286000      0.7161000    
 H   -1.454400      0.9117000       1.301100    
 H   -5.366800      0.9229000     -0.6840000    
 H   -5.039500     -0.7021000      -1.278600    
 H  -0.1146000      0.1876000      -1.363300    
 H  -0.3491000       1.833000     -0.7442000    
 H   -6.153900      -1.652100      0.7688000    
 H   -6.527900     -1.6300000E-02   1.303000    
 H   -7.541500      -1.316100      -1.278700    
 H   -8.478700      -1.054600      0.2033000    
 H   -7.920200      0.3339000     -0.7473000    
 H    2.002500       1.453700      -1.434400    
 H    3.566600       1.336600       1.058600    
 H    4.080600       1.958700     -0.5346000    
 H    5.348400     -4.6200000E-02   1.451800    
 H    6.670300      -1.316400     -0.1356000    


%chk=000149503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149503

0 1
O 1.638118 -0.628597 0.794422
O 5.625105 0.918697 -0.636864
O 5.302425 -1.726728 -0.251290
N 2.179989 1.369148 -0.243008
N 4.339466 -0.776724 0.234425
C -2.550220 0.031924 -0.551577
C -3.767039 -0.044715 0.398092
C -1.212591 0.205803 0.200025
C -5.104572 -0.268241 -0.343135
C -0.004330 0.323090 -0.765041
C -6.325170 -0.323542 0.603802
C 1.322897 0.310027 -0.015164
C -7.656016 -0.558885 -0.142773
C 3.463258 1.497788 0.475292
C 4.557814 0.543145 -0.031530
H -2.694230 0.872768 -1.262539
H -2.505920 -0.891772 -1.165783
H -3.828944 0.890791 0.992505
H -3.610906 -0.866367 1.127714
H -1.038520 -0.656740 0.870343
H -1.260138 1.106939 0.844069
H -5.255338 0.543395 -1.085854
H -5.049312 -1.213186 -0.923238
H -0.010383 -0.550480 -1.446078
H -0.100879 1.230529 -1.392636
H -6.170566 -1.129312 1.350300
H -6.383822 0.623819 1.177805
H -7.633552 -1.514006 -0.700892
H -8.511981 -0.596134 0.555880
H -7.850087 0.250254 -0.872166
H 1.940272 2.066008 -0.949481
H 3.280821 1.312246 1.549370
H 3.845372 2.521598 0.343994
H 3.459971 -1.171829 0.606583
H 5.998111 -1.112510 -0.652672


