%chk=000126859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126859

0 1
 O    2.447200      -1.686100      0.2916000    
 O    3.305300      0.4423000     -0.4438000    
 O   -1.018600       2.527400     -6.9899999E-02
 N   -4.430000     -0.4472000      4.8599999E-02
 C   -2.136200      5.4000001E-02  0.8107000    
 C   -3.031100     -0.3587000     -0.3805000    
 C  -0.6909000      0.2071000      0.4651000    
 C   0.1533000     -0.9005000      0.5744000    
 C    1.482600     -0.7272000      0.2479000    
 C  -0.1903000       1.449100      3.6100000E-02
 C    1.972500      0.4883000     -0.1719000    
 C   -2.623500      -1.707900     -0.9727000    
 C    1.160300       1.597600     -0.2883000    
 C    3.599300     -0.9382000     -0.1473000    
 H   -2.225000     -0.7041000       1.603400    
 H   -2.522300      0.9658000       1.284600    
 H   -2.966300      0.4021000      -1.167100    
 H  -0.2122000      -1.866100      0.9071000    
 H   -3.330800      -2.024700      -1.748500    
 H   -2.592800      -2.493400     -0.2095000    
 H   -1.642400      -1.653500      -1.454400    
 H    1.556500       2.551000     -0.6206000    
 H   -4.527300      -1.169600      0.7613000    
 H   -5.013000     -0.7414000     -0.7341000    
 H    4.361300     -0.9734000      0.6398000    
 H    4.002900      -1.412400      -1.049200    
 H   -1.943800       2.245200     -0.1366000    


%chk=000126859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126859

0 1
O 3.160989 -1.251733 0.425332
O 3.451309 1.092048 0.011102
O -1.382505 1.978260 -0.050213
N -3.501835 0.594153 -0.621418
C -1.904102 -0.891087 0.585983
C -2.916754 -0.796984 -0.594405
C -0.515492 -0.304645 0.339859
C 0.621245 -1.160844 0.444818
C 1.891586 -0.606388 0.295975
C -0.323900 1.092838 0.075427
C 2.065724 0.772387 0.060651
C -4.012295 -1.881262 -0.498766
C 0.986882 1.645115 -0.052411
C 4.133448 -0.229040 -0.028334
H -1.789990 -1.959330 0.844543
H -2.374326 -0.406038 1.469666
H -2.360850 -0.919211 -1.542674
H 0.496643 -2.227393 0.656619
H -4.757100 -1.774466 -1.309186
H -4.543996 -1.817586 0.470784
H -3.572020 -2.891916 -0.574288
H 1.104488 2.714311 -0.238019
H -4.208737 0.709754 0.121029
H -3.927609 0.820652 -1.531008
H 4.986830 -0.211383 0.666137
H 4.430297 -0.445268 -1.074253
H -2.293227 1.480556 -0.276750


