%chk=000131233.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131233

0 1
 O   0.4124000       4.055600     -0.5401000    
 O    2.961300      -2.544400      -1.773000    
 N    1.102800      0.5207000      0.4291000    
 N    2.116600      -1.140800       1.443000    
 N    3.446300      -3.355300      0.3013000    
 C   0.3464000       1.769400      0.2540000    
 C   -1.021500       1.533300     -0.4361000    
 C   -1.906100      0.5239000      0.3086000    
 C    1.179800       2.851500     -0.4781000    
 C   -3.207300      0.2629000     -0.4541000    
 C   -4.140100     -0.7251000      0.2532000    
 C    2.493700       3.175500      0.2292000    
 C    1.565900     -0.2592000     -0.5710000    
 C   -5.493500     -0.9610000     -0.4212000    
 C    1.443400     -2.5300000E-02   1.616800    
 C    2.196600      -1.292400      8.1200004E-02
 C   -6.357500      -1.989100      0.2919000    
 C    2.861000      -2.400100     -0.5345000    
 H   0.1293000       2.139900       1.266200    
 H   -1.565800       2.482500     -0.5113000    
 H  -0.8581000       1.182400      -1.463000    
 H   -2.132900      0.9059000       1.311000    
 H   -1.383600     -0.4304000      0.4352000    
 H    1.386900       2.539500      -1.508500    
 H   -3.738500       1.212300     -0.5950000    
 H   -2.974900     -0.1214000      -1.454900    
 H   -3.620300      -1.686900      0.3487000    
 H   -4.319500     -0.3693000       1.275900    
 H    2.311600       3.502900       1.258700    
 H    3.173000       2.318800      0.2472000    
 H    3.005400       4.002400     -0.2756000    
 H    1.421700     -3.7099998E-02  -1.619600    
 H   -5.328600      -1.292700      -1.453100    
 H   -6.039700     -1.2000000E-02 -0.4764000    
 H    1.187600      0.4108000       2.572800    
 H   0.9276000       4.706700      -1.046300    
 H   -5.856600      -2.961600      0.3291000    
 H   -6.572100      -1.673800       1.317800    
 H   -7.309700      -2.115600     -0.2326000    
 H    3.404100      -3.284000       1.313000    
 H    3.936000      -4.155800     -8.4399998E-02


%chk=000131233-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131233

0 1
O 0.295550 4.055930 -0.377703
O 2.990906 -2.671717 -1.868583
N 1.119697 0.521170 0.419521
N 2.322287 -1.120365 1.423525
N 3.637227 -3.298994 0.295519
C 0.319817 1.759578 0.261867
C -1.013420 1.487173 -0.472133
C -1.952339 0.527725 0.290676
C 1.164724 2.861971 -0.436160
C -3.268170 0.254406 -0.471676
C -4.225903 -0.688886 0.290377
C 2.517997 3.126763 0.241070
C 1.564092 -0.322279 -0.599845
C -5.533195 -0.984577 -0.479551
C 1.604006 -0.001081 1.621272
C 2.303038 -1.328689 0.029050
C -6.487296 -1.920989 0.292752
C 2.994336 -2.478393 -0.611897
H 0.097838 2.123733 1.284235
H -1.505480 2.464492 -0.624221
H -0.799777 1.077058 -1.480599
H -2.189650 0.960994 1.285080
H -1.436041 -0.434894 0.480385
H 1.325978 2.572525 -1.498571
H -3.784191 1.215968 -0.675042
H -3.031697 -0.188199 -1.461861
H -3.705068 -1.645181 0.505691
H -4.475869 -0.242437 1.275757
H 2.372270 3.431760 1.293374
H 3.161885 2.230365 0.219570
H 3.061863 3.937048 -0.280627
H 1.336663 -0.176785 -1.650705
H -5.282767 -1.437714 -1.460454
H -6.050046 -0.028558 -0.701628
H 1.400201 0.464432 2.582798
H 0.796910 4.835602 -0.724653
H -6.004793 -2.894873 0.499687
H -6.777076 -1.478210 1.264497
H -7.413268 -2.117616 -0.278331
H 3.588715 -3.067809 1.289732
H 4.143144 -4.116851 -0.037096


