%chk=000049676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049676

0 1
 O  -0.2481000     -0.1015000      0.2072000    
 O    4.448100      0.6565000      0.2814000    
 O   0.2884000      -4.083700     -0.4429000    
 N   0.7781000       2.236600     -0.4024000    
 C    1.827200       1.726700      0.4807000    
 C    2.081400      0.2720000      0.2433000    
 C    1.015600     -0.6187000      0.1100000    
 C    1.259900      -1.970200     -0.1110000    
 C    1.163100       2.068200      -1.802800    
 C   0.5060000       3.643700     -0.1121000    
 C    3.392400     -0.1959000      0.1544000    
 C   0.1178000      -2.886600     -0.2490000    
 C   -1.243700      -2.287400     -0.1395000    
 C   -1.326300     -0.9601000      8.2999997E-02
 C    2.571900      -2.443200     -0.2001000    
 C    3.637000      -1.551500     -6.7100003E-02
 C   7.1300000E-02   2.598800      -2.712100    
 C   4.8999999E-02   3.801500       1.325400    
 C   -2.609000     -0.2561000      0.2163000    
 C   -2.390800      -3.242500     -0.3020000    
 C   -3.203400     -0.1203000       1.471200    
 C   -3.232900      0.2776000     -0.9115000    
 C    4.962500      0.8588000       1.596000    
 C   -4.420900      0.5486000       1.598100    
 C   -4.450300      0.9466000     -0.7847000    
 C   -5.044200       1.082000      0.4701000    
 H    1.541800       1.792700       1.536500    
 H    2.734800       2.329800      0.3569000    
 H    2.106900       2.580600      -2.030100    
 H    1.298200       1.014300      -2.066400    
 H    1.376200       4.283900     -0.3028000    
 H  -0.3231000       4.020000     -0.7192000    
 H    2.783100      -3.494800     -0.3725000    
 H    4.656600      -1.920900     -0.1379000    
 H  -0.9208000       2.241800      -2.415100    
 H   6.0100000E-02   3.691800      -2.766500    
 H   0.2468000       2.244900      -3.734700    
 H  -0.7204000       3.068900       1.593800    
 H   0.8746000       3.731700       2.040300    
 H  -0.3912000       4.796200       1.461500    
 H   -2.347900      -4.019400      0.4687000    
 H   -2.344600      -3.725900      -1.283600    
 H   -3.369100      -2.760600     -0.2233000    
 H   -2.729200     -0.5299000       2.359700    
 H   -2.781600      0.1811000      -1.896100    
 H    5.386000     -7.2200000E-02   1.985700    
 H    4.182500       1.225900       2.270300    
 H    5.757200       1.607900       1.540800    
 H   -4.883300      0.6543000       2.575100    
 H   -4.935500       1.362500      -1.662800    
 H   -5.992000       1.603100      0.5689000    


%chk=000049676-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049676

0 1
O -0.467299 -0.229832 0.550759
O 4.144972 0.997033 0.443077
O 0.351880 -4.278023 0.099657
N 0.785292 2.466361 -0.505729
C 1.453340 1.840203 0.683961
C 1.838886 0.384467 0.487900
C 0.863474 -0.641374 0.437410
C 1.176001 -2.018024 0.300419
C 1.617442 2.358115 -1.739230
C 0.430779 3.886130 -0.213644
C 3.194525 -0.032727 0.400035
C 0.098733 -3.029392 0.226631
C -1.291723 -2.515025 0.271550
C -1.524007 -1.157913 0.438551
C 2.542406 -2.382464 0.220291
C 3.547938 -1.408691 0.270866
C 0.830488 2.660649 -3.028458
C -0.567141 4.064718 0.947033
C -2.812841 -0.427410 0.472714
C -2.385173 -3.541616 0.070915
C -3.993192 -0.991180 1.029387
C -2.861842 0.896384 -0.053099
C 5.563873 0.635774 0.361653
C -5.198784 -0.258108 1.039016
C -4.071429 1.620069 -0.046242
C -5.246319 1.046194 0.495180
H 0.733697 1.892187 1.519177
H 2.364835 2.410165 0.977139
H 2.520650 3.019057 -1.679845
H 1.988904 1.319562 -1.794018
H 1.353372 4.490952 -0.003024
H -0.022080 4.305769 -1.129361
H 2.777087 -3.446384 0.114540
H 4.596567 -1.710903 0.207726
H -0.076421 2.031704 -3.074614
H 0.521814 3.718821 -3.102208
H 1.455402 2.437867 -3.913113
H -1.449584 3.416605 0.805797
H -0.122735 3.829087 1.930008
H -0.909515 5.115339 0.985562
H -2.737854 -3.958248 1.033988
H -1.963489 -4.388887 -0.495467
H -3.255000 -3.129010 -0.466538
H -3.964708 -1.985459 1.482747
H -1.944276 1.339967 -0.457183
H 5.795538 0.128266 -0.594094
H 5.863895 -0.008139 1.210136
H 6.102255 1.593270 0.413298
H -6.098483 -0.702502 1.478622
H -4.098895 2.632914 -0.463627
H -6.185056 1.611282 0.500846


