%chk=000127579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127579

0 1
 O    2.093400       2.202100      -1.153600    
 O   -2.842900     -0.7671000      -1.920900    
 N    1.841400      0.3810000     -0.1748000    
 N    2.085100       1.659900     -4.4100001E-02
 N   -2.350000     -0.3280000     -0.8175000    
 C   0.9920000     -0.2171000      0.8746000    
 C    1.405600      -1.700400      0.9224000    
 C    2.419600      -1.866100     -0.1993000    
 C    3.013300     -0.4783000     -0.3439000    
 C  -0.4885000     -3.3000000E-02  0.5992000    
 C   -1.041600     -0.4959000     -0.5825000    
 C   -1.304000      0.6013000       1.526900    
 C   -2.659700      0.7618000       1.256500    
 C   -3.163600      0.2796000      5.6899998E-02
 H    1.235600      0.2157000       1.856800    
 H   0.5783000      -2.410400      0.8196000    
 H    1.899800      -1.907200       1.880300    
 H    3.174400      -2.622700      3.4000002E-02
 H    1.911000      -2.164000      -1.124300    
 H    3.762000     -0.3045000      0.4406000    
 H    3.490400     -0.3500000      -1.321500    
 H  -0.4880000      -1.000300      -1.361000    
 H  -0.9007000      0.9760000       2.463500    
 H   -3.310800       1.255000       1.970300    
 H   -4.201000      0.3621000     -0.2313000    


%chk=000127579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127579

0 1
O 3.169136 1.843939 -1.313973
O -2.509754 0.170738 -2.369846
N 1.981590 0.408646 -0.097010
N 2.271308 1.715825 -0.393740
N -2.163800 0.133320 -1.085312
C 1.057901 0.092466 1.018924
C 1.554713 -1.330472 1.429996
C 2.032074 -1.955421 0.089891
C 2.686092 -0.774382 -0.668532
C -0.422025 0.106288 0.625095
C -0.815601 0.160992 -0.717948
C -1.411960 0.038229 1.641257
C -2.772049 0.021195 1.260945
C -3.137581 0.065125 -0.089438
H 1.212030 0.827957 1.828417
H 0.764202 -1.919796 1.921449
H 2.404410 -1.231573 2.130054
H 2.739600 -2.786243 0.244198
H 1.169596 -2.344071 -0.479910
H 3.771008 -0.674146 -0.473385
H 2.554065 -0.812280 -1.763673
H -0.127619 0.249405 -1.558952
H -1.127187 0.010282 2.697700
H -3.566380 -0.022628 2.011728
H -4.162666 0.056101 -0.461035


