%chk=000139014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139014

0 1
 O    1.830300     -0.5202000       1.141000    
 N  -0.6485000      1.2900000E-02  0.1168000    
 N    2.824700      0.3960000     -0.7163000    
 C  -0.5694000      -1.335100     -0.4446000    
 C   -1.915200      0.6456000     -0.2494000    
 C   0.4790000      0.8241000     -0.3407000    
 C   -1.713600      -2.181500      1.1100000E-02
 C   -2.042300       2.002000      0.3645000    
 C    1.755100      0.1562000      0.1176000    
 H  -0.5530000      -1.307800      -1.542300    
 H   0.3397000      -1.858700     -0.1345000    
 H   -2.037200      0.7126000      -1.338100    
 H   -2.762700      7.1500003E-02  0.1386000    
 H   0.4777000      0.9479000      -1.430700    
 H   0.4981000       1.815600      0.1237000    
 H   -1.868900      -2.119300       1.094000    
 H   -2.652800      -1.939700     -0.4967000    
 H   -1.509500      -3.233700     -0.2203000    
 H   -1.804700       1.994400       1.434200    
 H   -1.415000       2.751500     -0.1283000    
 H   -3.074800       2.358100      0.2688000    
 H    3.739400      5.5000000E-03 -0.5154000    
 H    2.747300      0.9667000      -1.552000    


%chk=000139014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139014

0 1
O 1.839058 -0.582839 1.155733
N -0.702001 0.020144 -0.134310
N 2.966721 0.484004 -0.566140
C -0.749781 -1.387323 -0.613923
C -1.927692 0.796803 -0.447546
C 0.525109 0.722158 -0.516006
C -1.673624 -2.275354 0.240479
C -2.127248 2.021731 0.466534
C 1.806970 0.127738 0.114259
H -1.052498 -1.441223 -1.692043
H 0.272663 -1.797121 -0.542265
H -1.947544 1.119410 -1.522349
H -2.789015 0.119593 -0.310686
H 0.673455 0.776827 -1.631267
H 0.459594 1.768855 -0.161903
H -1.341523 -2.244220 1.291754
H -2.729367 -1.950871 0.199067
H -1.633865 -3.321842 -0.115493
H -2.107881 1.707709 1.524261
H -1.345662 2.790528 0.323637
H -3.100875 2.501770 0.255272
H 3.864404 0.189217 -0.183034
H 2.944300 1.018907 -1.433032


