%chk=000161840.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161840

0 1
 O   -3.424600       1.029300     -0.6964000    
 O    1.199600     -0.2772000       1.995900    
 N   -2.909100     -0.1547000     -0.2341000    
 N  -0.1337000      0.5027000      0.2873000    
 N    2.162000     -6.7199998E-02 -8.6300001E-02
 C   -1.788000     -0.6288000      -1.138600    
 C   -2.372100      1.5699999E-02   1.174200    
 C  -0.5809000      0.3059000      -1.097500    
 C   -1.180100      0.9615000       1.200000    
 C   -4.013400      -1.175100     -0.2284000    
 C    1.081600      3.1900000E-02  0.8032000    
 C    3.178200      -1.084100      0.1436000    
 C    2.505900      0.9522000      -1.075800    
 C    2.802800      -2.368600     -0.5701000    
 C    3.471800       1.956500     -0.4769000    
 H   -2.205200     -0.6922000      -2.149500    
 H   -1.516400      -1.631900     -0.7889000    
 H   -2.092100     -0.9854000       1.522200    
 H   -3.198900      0.4012000       1.780200    
 H   0.2049000     -0.1415000      -1.710400    
 H  -0.8327000       1.290300      -1.506500    
 H   -1.473200       1.965600      0.8726000    
 H  -0.7936000       1.051500       2.220100    
 H   -4.377700      -1.271700      -1.254900    
 H   -3.607600      -2.120700      0.1395000    
 H   -4.804200     -0.8005000      0.4272000    
 H    3.264900      -1.285000       1.216800    
 H    4.156200     -0.7379000     -0.2051000    
 H    1.620500       1.512400      -1.380900    
 H    2.928100      0.4671000      -1.961900    
 H    2.717800      -2.208500      -1.650000    
 H    1.841000      -2.752500     -0.2138000    
 H    3.562200      -3.137300     -0.3971000    
 H    4.419300       1.494300     -0.1845000    
 H    3.045200       2.430900      0.4135000    
 H    3.696600       2.743000      -1.204400    


%chk=000161840-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161840

0 1
O -3.428151 1.085148 -0.603266
O 1.056810 -0.625912 1.733116
N -2.873863 -0.179849 -0.224053
N -0.108609 0.670134 0.153343
N 2.105128 -0.105172 -0.303998
C -1.765764 -0.573803 -1.220533
C -2.249249 -0.083871 1.186043
C -0.670186 0.509289 -1.210147
C -1.144670 0.982665 1.162772
C -3.967307 -1.230650 -0.231000
C 1.022892 -0.055397 0.590686
C 3.172653 -1.091736 0.014709
C 2.505117 1.075444 -1.114730
C 2.715376 -2.544870 -0.215503
C 3.516214 1.993205 -0.387671
H -2.255476 -0.617803 -2.206986
H -1.354955 -1.564427 -0.945184
H -1.842942 -1.068162 1.482428
H -3.072015 0.218447 1.853452
H 0.120557 0.214039 -1.916649
H -1.135292 1.457400 -1.534395
H -1.609481 1.950090 0.904045
H -0.670120 1.033053 2.154860
H -4.391963 -1.248355 -1.245646
H -3.578537 -2.225874 0.054946
H -4.740178 -0.892896 0.474839
H 3.497807 -0.968668 1.065598
H 4.033379 -0.862137 -0.639267
H 1.606489 1.664118 -1.354569
H 2.935695 0.718207 -2.070823
H 2.404592 -2.700499 -1.264399
H 1.869924 -2.788437 0.449591
H 3.540826 -3.244753 0.011494
H 4.444912 1.454428 -0.128348
H 3.077065 2.391108 0.544359
H 3.788421 2.847701 -1.034812


