%chk=000145174.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145174

0 1
 O    5.427400     -0.4720000     -0.2565000    
 N  -0.6381000      1.7800000E-02 -0.4984000    
 N  -4.2900000E-02 -9.6299998E-02  0.5980000    
 C   -2.629800       1.352800     -0.1024000    
 C   -2.018800      0.1120000     -0.2838000    
 C   -4.161500     -0.9781000     -4.3099999E-02
 C   -2.784700      -1.053600     -0.2541000    
 C   -4.006500       1.428200      0.1087000    
 C   -4.772300      0.2628000      0.1383000    
 C   -1.830200       2.614400     -0.1289000    
 C   -4.980800      -2.223600     -1.1600000E-02
 C    1.342800     -0.1912000      0.3831000    
 C    2.117600      0.9639000      0.3515000    
 C    1.929000      -1.440000      0.2014000    
 C    4.085800     -0.3798000     -4.6599999E-02
 C    3.492500      0.8694000      0.1360000    
 C    3.303900      -1.534500     -1.4000000E-02
 C    6.166700      0.7480000     -0.2777000    
 H   -2.307300      -2.020200     -0.3987000    
 H   -4.497900       2.386800      0.2528000    
 H   -5.844300      0.3347000      0.3020000    
 H   -1.182300       2.672800      0.7516000    
 H   -1.215200       2.664600      -1.033800    
 H   -2.472200       3.502000     -0.1290000    
 H   -4.404500      -3.064700      0.3887000    
 H   -5.859900      -2.103700      0.6308000    
 H   -5.317400      -2.477500      -1.021700    
 H    1.662400       1.940600      0.4932000    
 H    1.327300      -2.344600      0.2258000    
 H    4.039800       1.805800      0.1227000    
 H    3.760300      -2.510500     -0.1556000    
 H    6.124600       1.261000      0.6891000    
 H    5.853000       1.394300      -1.104600    
 H    7.215200      0.4876000     -0.4558000    


%chk=000145174-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145174

0 1
O 5.626005 -0.527469 -0.141604
N -0.686091 0.519299 0.002619
N -0.019638 -0.609824 -0.031988
C -2.856406 1.595076 0.061726
C -2.110632 0.375133 0.030579
C -4.182342 -0.966977 0.059845
C -2.777493 -0.884368 0.029953
C -4.269211 1.497332 0.091699
C -4.923599 0.247774 0.091035
C -2.169097 2.947366 0.062842
C -4.898130 -2.307318 0.058478
C 1.399604 -0.467331 -0.057451
C 2.103209 0.769904 -0.044495
C 2.137543 -1.684333 -0.098226
C 4.231002 -0.432959 -0.112446
C 3.508046 0.792438 -0.071587
C 3.539432 -1.672494 -0.125783
C 6.400434 0.718136 -0.129176
H -2.159725 -1.788120 0.005649
H -4.863169 2.418621 0.116094
H -6.020055 0.209491 0.115094
H -1.499798 3.055443 0.934713
H -1.536260 3.075667 -0.833131
H -2.912645 3.762995 0.087476
H -4.182355 -3.146250 0.031027
H -5.526361 -2.428653 0.961153
H -5.566380 -2.404956 -0.818057
H 1.524317 1.698214 -0.012674
H 1.579977 -2.626424 -0.107530
H 4.033176 1.752470 -0.060741
H 4.121685 -2.597850 -0.157359
H 6.209130 1.299994 0.792803
H 6.174926 1.339268 -1.017183
H 7.452601 0.399902 -0.155951


