%chk=000115899.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115899

1 1
 O  -0.6065000     -0.7394000     -1.1400000E-02
 O   -1.904300       1.155500     -6.8999999E-03
 N    3.043700      3.6300000E-02  4.4999998E-03
 N   -2.849100     -0.9633000      2.4999999E-03
 C    1.792100     -0.8290000     -2.5599999E-02
 C    3.025200      0.9121000       1.249000    
 C    4.276400     -0.8558000      3.0099999E-02
 C    3.081100      0.9179000      -1.235600    
 C   0.5666000      6.3299999E-02 -1.9800000E-02
 C   -1.801400     -6.6799998E-02 -5.4000001E-03
 C   -4.239800     -0.5716000      1.0200000E-02
 C   -4.384100      0.9408000      8.2999999E-03
 H    1.825800      -1.458700     -0.9228000    
 H    1.807500      -1.489400      0.8499000    
 H    2.799200      0.2867000       2.117700    
 H    4.019200       1.357600       1.361600    
 H    2.298000       1.719700       1.134700    
 H    4.269300      -1.479700     -0.8686000    
 H    5.168100     -0.2220000      4.6900000E-02
 H    4.233800      -1.477500      0.9294000    
 H    2.921800      0.2910000      -2.117900    
 H    2.326400       1.704700      -1.164200    
 H    4.069200       1.386900      -1.285700    
 H   0.5230000      0.6942000      0.8718000    
 H   0.5205000      0.6923000     -0.9133000    
 H   -2.631100      -1.955000      2.9000000E-03
 H   -4.713400      -1.010400     -0.8732000    
 H   -4.702600      -1.007100      0.9009000    
 H   -3.979000       1.408700      0.9115000    
 H   -3.989900       1.405400     -0.9013000    
 H   -5.455400       1.179000      1.4400000E-02


%chk=000115899-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115899

1 1
O -0.576442 -0.630810 0.001376
O -1.900196 1.322709 -0.001181
N 3.140758 0.050854 0.008558
N -2.846019 -0.868142 -0.002234
C 1.761261 -0.652111 0.005390
C 3.308050 0.917844 1.257323
C 4.217841 -1.036970 0.014185
C 3.316420 0.913305 -1.242195
C 0.556966 0.299926 0.000917
C -1.863850 0.071662 0.000195
C -4.320940 -0.655546 -0.005831
C -4.783087 0.810297 -0.006729
H 1.732318 -1.296073 -0.889986
H 1.727130 -1.293442 0.902470
H 3.121890 0.300259 2.149150
H 4.336168 1.310350 1.281016
H 2.595299 1.753638 1.225849
H 4.104373 -1.659699 -0.886004
H 5.210418 -0.561289 0.017351
H 4.097410 -1.657158 0.915227
H 3.134240 0.292992 -2.132963
H 2.604990 1.750457 -1.217710
H 4.345311 1.304030 -1.261485
H 0.510761 0.947938 0.895285
H 0.513873 0.943320 -0.896936
H -2.525685 -1.839434 -0.001645
H -4.725653 -1.170127 -0.898844
H -4.729958 -1.170410 0.885053
H -4.435129 1.355423 0.884567
H -4.430844 1.355668 -0.896189
H -5.887375 0.816939 -0.009381


