%chk=000097809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097809

0 1
 O    5.025500     -4.2399999E-02  -1.642200    
 O    5.550400      1.0500000E-02  0.4887000    
 N   -1.638700      1.0000000E-03  4.1800000E-02
 N  -0.6831000      2.5599999E-02  0.9907000    
 N    1.614400      3.9799999E-02   1.622200    
 N    4.694900     -1.2200000E-02 -0.4307000    
 C   -4.031200     -9.8000001E-03 -0.4150000    
 C   -4.870900       1.258400     -0.1955000    
 C   -4.871800      -1.264100     -0.1294000    
 C   -2.839000      1.4100000E-02  0.5187000    
 C   -4.083400       2.536500     -0.4569000    
 C   -4.103700      -2.555900     -0.3803000    
 C   0.6760000      1.5799999E-02  0.6402000    
 C   0.9955000     -1.7500000E-02 -0.7142000    
 C    2.337800     -2.6699999E-02  -1.077100    
 C    3.318800     -2.9000000E-03 -9.2000000E-02
 C    2.908600      2.9700000E-02   1.231200    
 H   -3.672700     -3.5799999E-02  -1.451600    
 H   -5.741000       1.237600     -0.8627000    
 H   -5.254900       1.288300      0.8319000    
 H   -5.222100      -1.260400      0.9103000    
 H   -5.763200      -1.257100     -0.7682000    
 H   -3.051400      4.2599998E-02   1.604000    
 H   -3.270300       2.666400      0.2636000    
 H   -3.656900       2.535000      -1.465100    
 H   -4.743000       3.406100     -0.3706000    
 H   -4.763600      -3.417600     -0.2368000    
 H   -3.261100      -2.665600      0.3090000    
 H   -3.720000      -2.591100      -1.404900    
 H  -0.9120000      5.0200000E-02   1.977600    
 H   0.2484000     -3.6400001E-02  -1.501000    
 H    2.585700     -5.2800000E-02  -2.135000    
 H    3.611400      4.9699999E-02   2.058700    


%chk=000097809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097809

0 1
O 5.167300 -0.029370 -1.632744
O 5.653705 0.007182 0.602425
N -1.645661 0.000858 0.100443
N -0.600253 0.015954 1.013631
N 1.636750 0.024310 1.604775
N 4.814797 -0.008669 -0.385168
C -4.064407 -0.005271 -0.347680
C -4.922006 1.282777 -0.151718
C -4.926079 -1.282008 -0.102051
C -2.869099 0.010373 0.572471
C -4.187860 2.585487 -0.532339
C -4.194321 -2.600839 -0.428018
C 0.716055 0.008231 0.583212
C 1.070394 -0.014337 -0.800520
C 2.430049 -0.020035 -1.127019
C 3.384137 -0.003348 -0.076025
C 2.948633 0.018458 1.271416
H -3.685859 -0.025977 -1.388943
H -5.836794 1.178308 -0.767972
H -5.263088 1.335347 0.903226
H -5.269697 -1.291137 0.953368
H -5.839178 -1.200290 -0.724243
H -3.082837 0.030173 1.663240
H -3.285215 2.739037 0.086600
H -3.864256 2.563897 -1.589521
H -4.844838 3.463617 -0.396914
H -4.854560 -3.471120 -0.261407
H -3.295047 -2.732532 0.200777
H -3.865845 -2.621279 -1.483726
H -0.749062 0.033050 2.034450
H 0.284702 -0.026253 -1.557436
H 2.775661 -0.036911 -2.163918
H 3.677183 0.031316 2.086726


