%chk=000118046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118046

0 1
 O  -0.3049000      -1.937400     -7.5599998E-02
 N   -1.935800      0.8028000      -1.145400    
 N   -1.115100      0.5324000       1.083400    
 C  -4.4100001E-02 -0.6871000     -0.6811000    
 C   -1.096900      0.2754000     -0.1860000    
 C   -2.562000       2.471200      0.4691000    
 C   -2.975500       1.746400     -0.8045000    
 C   -2.167800       1.455500       1.539400    
 C    1.332800     -0.1987000     -0.3349000    
 C    2.015600      0.6214000      -1.225600    
 C    1.911300     -0.5716000      0.8726000    
 C   -1.607400      -2.417800     -0.3925000    
 C    3.295100       1.074900     -0.9042000    
 C    3.190600     -0.1181000       1.194100    
 C    3.882500      0.7052000      0.3056000    
 C   -1.818500      -3.754600      0.2858000    
 H  -0.1128000     -0.8138000      -1.769400    
 H   -3.379500       3.105300      0.8279000    
 H   -1.706400       3.125800      0.2584000    
 H   -3.917000       1.208300     -0.6501000    
 H   -3.122400       2.458600      -1.622400    
 H   -1.798100       1.991200       2.420300    
 H   -3.039400      0.8717000       1.857500    
 H   -1.857500      0.5206000      -2.118000    
 H    1.566800      0.9175000      -2.169700    
 H    1.391000      -1.204300       1.586100    
 H   -2.392700      -1.745500     -3.4000002E-02
 H   -1.705000      -2.536800      -1.477500    
 H    3.833500       1.716500      -1.595600    
 H    3.647400     -0.4040000       2.137000    
 H    4.878300       1.058800      0.5563000    
 H   -2.808900      -4.158200      5.7200000E-02
 H   -1.060500      -4.475200     -3.8600001E-02
 H   -1.719100      -3.655700       1.371900    


%chk=000118046-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118046

0 1
O -0.328874 -2.060803 -0.023926
N -1.530604 1.312637 -1.058282
N -1.874061 0.101537 1.001856
C -0.256972 -0.765236 -0.681922
C -1.305653 0.256958 -0.170468
C -2.486664 2.562245 0.838837
C -2.403501 2.447631 -0.700516
C -2.807567 1.174267 1.445183
C 1.152024 -0.227139 -0.450769
C 1.971353 0.168463 -1.533768
C 1.640819 -0.110101 0.874585
C -1.604434 -2.777976 -0.227140
C 3.267057 0.686658 -1.300188
C 2.935610 0.399811 1.107606
C 3.751155 0.803957 0.022237
C -1.429247 -4.166222 0.387141
H -0.428504 -0.889439 -1.779653
H -3.255795 3.304440 1.120522
H -1.513267 2.913449 1.229732
H -3.419267 2.301339 -1.122741
H -1.993268 3.376499 -1.138491
H -2.765150 1.218568 2.548580
H -3.845863 0.878952 1.182512
H -0.948814 1.383019 -1.893480
H 1.608642 0.051678 -2.563822
H 0.997528 -0.427880 1.701488
H -2.417588 -2.214802 0.268504
H -1.819835 -2.846826 -1.318247
H 3.897466 0.986395 -2.145115
H 3.312756 0.482956 2.133420
H 4.756363 1.200066 0.206612
H -2.358459 -4.755485 0.277737
H -0.603910 -4.711745 -0.102606
H -1.195876 -4.077170 1.462083


