%chk=000057153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057153

0 1
 O    6.041700     -0.7885000     -0.8545000    
 N    2.634600       1.397400      0.2102000    
 N   -1.477500      0.3225000     -0.2139000    
 C    5.208900      3.9700001E-02 -5.2999999E-02
 C    2.918400      0.1849000      0.9915000    
 C    3.860100       2.170300     -3.8100000E-02
 C    3.921500     -0.7128000      0.2679000    
 C    4.892500       1.335400     -0.7946000    
 C    1.638000       2.223300      0.8914000    
 C   0.3250000       1.457500       1.038800    
 C  -0.2241000       1.042300     -0.3259000    
 C   -2.719300      0.9127000     -0.2226000    
 C   -1.585700      -1.042100     -8.5400000E-02
 C   -3.662300     -0.1074000     -9.4700001E-02
 C   -2.945700      -1.343100     -8.0000004E-03
 C   -3.074100       2.262100     -0.3332000    
 C  -0.5891000      -2.023300     -3.2499999E-02
 C    6.375300      -1.996300     -0.1844000    
 C   -5.030200      0.2372000     -7.6200001E-02
 C   -3.331000      -2.693300      0.1294000    
 C   -4.435100       2.578200     -0.3126000    
 C  -0.9956000      -3.353400      0.1032000    
 C   -5.400400       1.582400     -0.1860000    
 C   -2.345800      -3.685800      0.1833000    
 H    5.739600      0.2905000      0.8752000    
 H    2.028700     -0.4314000       1.137700    
 H    3.305300      0.4426000       1.986300    
 H    4.294600       2.527900      0.9047000    
 H    3.625900       3.053500     -0.6447000    
 H    4.114500      -1.579000      0.9106000    
 H    3.476100      -1.109400     -0.6546000    
 H    4.524800       1.105200      -1.803600    
 H    5.813300       1.913200     -0.9395000    
 H    1.989700       2.541900       1.881000    
 H    1.446600       3.133600      0.3090000    
 H  -0.3994000       2.131200       1.517000    
 H   0.3984000      0.6068000       1.723900    
 H   0.4727000      0.3991000     -0.8733000    
 H  -0.3880000       1.917800     -0.9643000    
 H   -2.332000       3.047500     -0.4273000    
 H   0.4653000      -1.779800     -9.6400000E-02
 H    5.563600      -2.725100     -0.2627000    
 H    6.649300      -1.823500      0.8614000    
 H    7.243400      -2.427600     -0.6922000    
 H   -5.795000     -0.5280000      2.1900000E-02
 H   -4.380100      -2.968400      0.1930000    
 H   -4.743500       3.617200     -0.3953000    
 H  -0.2459000      -4.139300      0.1463000    
 H   -6.453300       1.851100     -0.1719000    
 H   -2.639200      -4.726900      0.2887000    


%chk=000057153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057153

0 1
O 6.040502 -1.042882 -0.816063
N 2.650655 1.298966 0.302136
N -1.550937 0.481210 -0.323288
C 5.203864 -0.134567 -0.015580
C 3.039887 0.224278 1.250982
C 3.849293 1.993285 -0.237658
C 3.950142 -0.819682 0.569503
C 4.789115 1.005477 -0.956236
C 1.666355 2.249507 0.883652
C 0.247866 1.650111 0.994354
C -0.319740 1.274274 -0.396207
C -2.857494 0.993500 -0.213743
C -1.610886 -0.923550 -0.244460
C -3.781375 -0.103494 -0.086255
C -2.986313 -1.325566 -0.104563
C -3.295884 2.335827 -0.225288
C -0.560789 -1.867303 -0.292310
C 6.726559 -2.065889 -0.029170
C -5.165737 0.162954 0.025219
C -3.302688 -2.701024 -0.017092
C -4.682942 2.574817 -0.113158
C -0.904276 -3.234006 -0.202935
C -5.610743 1.502329 0.010809
C -2.258960 -3.649933 -0.066666
H 5.814757 0.277888 0.824804
H 2.128519 -0.272947 1.627101
H 3.570394 0.654362 2.143200
H 4.415232 2.517492 0.578297
H 3.511506 2.768982 -0.949513
H 4.225925 -1.594544 1.309685
H 3.399599 -1.310410 -0.255545
H 4.271737 0.567458 -1.829464
H 5.689153 1.532105 -1.322236
H 1.992795 2.615796 1.890245
H 1.629950 3.137343 0.221165
H -0.415925 2.382183 1.493343
H 0.255683 0.748414 1.635038
H 0.449330 0.702923 -0.944644
H -0.521339 2.189140 -0.984951
H -2.592935 3.170599 -0.317242
H 0.485070 -1.559362 -0.400024
H 6.026172 -2.819121 0.386897
H 7.304664 -1.614926 0.806692
H 7.420680 -2.567112 -0.722572
H -5.885211 -0.658019 0.121640
H -4.343346 -3.028203 0.087536
H -5.051757 3.606898 -0.120556
H -0.111093 -3.989505 -0.240462
H -6.680166 1.723296 0.096705
H -2.489368 -4.718770 -0.000121


