%chk=000115829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115829

0 1
 O   -1.874200     -0.3772000       1.475000    
 O   -4.417000      -1.402100      0.8545000    
 N   -1.205100       2.382700      0.1422000    
 N   -3.099300      6.9999998E-04 -0.4718000    
 N    3.243800     -0.3373000     -0.3814000    
 N    4.730100      -2.114800     -0.4369000    
 N    5.477100     -0.1697000      0.4868000    
 C   0.5007000      0.6319000      0.2392000    
 C  -0.9023000       1.008100     -0.2586000    
 C    1.594800       1.469800     -0.4380000    
 C    2.997000       1.055300     -4.3000001E-03
 C   -1.993000      0.1449000      0.3683000    
 C   -4.229400     -0.7581000     -0.1740000    
 C    4.419300     -0.8149000     -0.1141000    
 C   -5.242300     -0.7193000      -1.286800    
 H   0.5711000      0.7486000       1.328800    
 H   0.6639000     -0.4338000      3.5500001E-02
 H  -0.9394000      0.9243000      -1.350600    
 H    1.508100       1.365900      -1.526800    
 H    1.459200       2.531400     -0.2020000    
 H    3.091900       1.181700       1.081000    
 H    3.719200       1.717500     -0.4971000    
 H   -1.188900       2.466600       1.157800    
 H   -2.145800       2.634300     -0.1587000    
 H   -3.082200      0.4857000      -1.365600    
 H   -4.816000      -1.164700      -2.190000    
 H   -6.131900      -1.285000     -0.9963000    
 H   -5.532300      0.3153000      -1.491100    
 H    4.050900      -2.719500     -0.8861000    
 H    5.643000      -2.507500     -0.2356000    
 H    6.357700     -0.6472000      0.6465000    
 H    5.419600      0.7952000      0.7923000    


%chk=000115829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115829

0 1
O -3.049002 1.473655 1.457213
O -4.487646 -0.946656 0.618986
N -1.058050 3.324678 0.644867
N -2.556054 0.018313 -0.339955
N 2.581117 -0.365414 -0.481691
N 3.548917 -2.361609 -1.267171
N 4.860443 -0.975728 0.099601
C 0.214894 1.198460 0.438304
C -1.072713 1.979372 0.055072
C 1.491201 1.825340 -0.154243
C 2.737231 0.967622 0.143933
C -2.330758 1.155599 0.480818
C -3.579072 -0.966182 -0.241802
C 3.616886 -1.171734 -0.522692
C -3.449504 -2.055822 -1.309276
H 0.288277 1.163000 1.545479
H 0.162753 0.149224 0.090187
H -1.088402 2.090116 -1.049970
H 1.384490 1.907718 -1.254312
H 1.620424 2.848705 0.243119
H 2.850235 0.883220 1.251890
H 3.641897 1.501885 -0.233636
H -1.114293 3.279323 1.671304
H -1.812359 3.924450 0.288382
H -1.869506 -0.125646 -1.087259
H -2.484530 -2.588585 -1.218231
H -4.268438 -2.777671 -1.179107
H -3.509245 -1.627205 -2.327134
H 2.676978 -2.496403 -1.776006
H 4.027126 -3.193625 -0.923776
H 5.694657 -1.438139 -0.254519
H 4.980344 -0.191461 0.733723


