%chk=000126999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126999

0 1
 O   -1.075100     -0.3559000     -0.7901000    
 O   -2.941300       1.466900      -1.709100    
 O   -4.037800      0.3928000      0.9215000    
 O   0.4930000       1.690300      0.4799000    
 O    1.799000      -2.713200     -0.3984000    
 N    1.073700     -0.5332000      4.5000002E-02
 N    3.334000      -1.020000     -0.4054000    
 C  -0.2777000     -0.9970000      0.2022000    
 C   -2.464700     -0.6094000     -0.6280000    
 C  -0.7412000     -0.6659000       1.588400    
 C   -2.918900     -7.4500002E-02  0.7244000    
 C   -3.198500      7.4199997E-02  -1.770900    
 C    1.336700      0.8372000      0.2071000    
 C   -1.966800     -0.2010000       1.852800    
 C    2.046900      -1.512600     -0.2632000    
 C    2.763600       1.239800      2.6500000E-02
 C    3.662800      0.2956000     -0.2655000    
 C    3.112400       2.685800      0.1828000    
 H  -0.3502000      -2.080400      5.7300001E-02
 H   -2.656200      -1.688700     -0.6646000    
 H  -5.4000001E-02 -0.8188000       2.417000    
 H   -4.279800     -8.1100002E-02  -1.709900    
 H   -2.844100     -0.2901000      -2.740400    
 H   -2.293700      4.7899999E-02   2.854000    
 H    4.081700      -1.670800     -0.6273000    
 H    4.713100      0.5214000     -0.4086000    
 H    2.857700       3.034300       1.189000    
 H    2.564300       3.292500     -0.5454000    
 H    4.181400       2.866900      2.8800000E-02
 H   -1.978200       1.590700      -1.763200    


%chk=000126999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126999

0 1
O -0.997936 -0.938578 -0.845879
O -2.340654 1.834327 -0.643402
O -4.399799 -0.779743 0.619474
O 0.298704 1.561525 0.177032
O 1.965545 -2.851036 0.216869
N 1.100783 -0.643180 0.204461
N 3.395076 -1.063277 -0.211669
C -0.278461 -1.176792 0.402734
C -2.465755 -0.658428 -0.830603
C -0.938830 -0.636191 1.648983
C -3.142592 -0.664063 0.546991
C -2.688939 0.720835 -1.505018
C 1.281027 0.768921 0.052202
C -2.285593 -0.459690 1.728743
C 2.134761 -1.610653 0.076071
C 2.643783 1.232145 -0.242327
C 3.642463 0.296663 -0.366369
C 2.862062 2.715238 -0.405943
H -0.124199 -2.269683 0.523419
H -2.932079 -1.445902 -1.453137
H -0.286975 -0.497855 2.520483
H -3.762745 0.830430 -1.733404
H -2.110047 0.723457 -2.453323
H -2.781939 -0.170810 2.660682
H 4.145380 -1.750767 -0.303800
H 4.675163 0.573546 -0.593197
H 2.547186 3.259868 0.501978
H 2.247568 3.111391 -1.234178
H 3.921489 2.946506 -0.609487
H -1.382349 1.765494 -0.361685


