%chk=000062618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062618

0 1
 O   -2.671500       2.082100     -3.3000000E-03
 O    2.671400       2.080800     -7.4000000E-03
 N   -2.808400     -0.4941000      0.3911000    
 N    2.807700     -0.4949000      0.3909000    
 C  -0.6984000      0.7840000      0.1949000    
 C   0.6980000      0.7838000      0.1944000    
 C   -1.396800     -0.4153000      0.3790000    
 C    1.396100     -0.4157000      0.3786000    
 C  -0.6981000       3.300700     -0.1913000    
 C   0.6984000       3.300400     -0.1921000    
 C   -1.447500       2.042600      2.4000001E-03
 C    1.447500       2.041900      6.0000003E-04
 C  -0.6973000      -1.608500      0.5620000    
 C   0.6962000      -1.608700      0.5620000    
 C   -1.396200       4.500200     -0.3747000    
 C    1.396800       4.499700     -0.3764000    
 C   -3.706700      -1.511000      2.2100000E-02
 C    3.705700      -1.512700      2.3900000E-02
 C  -0.6963000       5.693200     -0.5580000    
 C   0.6972000       5.693000     -0.5587000    
 C   -4.947200      -1.639500      0.6539000    
 C    4.946900      -1.639200      0.6546000    
 C   -3.352300      -2.407300     -0.9904000    
 C    3.351900      -2.409700     -0.9883000    
 C   -5.825200      -2.655600      0.2766000    
 C    5.826400      -2.653500      0.2764000    
 C   -5.357000     -0.6981000       1.739300    
 C    5.355800     -0.6975000       1.740100    
 C   -4.230300      -3.423300      -1.367500    
 C    4.231500      -3.424100      -1.366400    
 C   -5.466900      -3.547500     -0.7341000    
 C    5.468800      -3.546000     -0.7341000    
 H   -1.204700      -2.551500      0.7466000    
 H    1.203200      -2.551800      0.7467000    
 H   -3.256000      0.3475000      0.7388000    
 H    3.255400      0.3472000      0.7375000    
 H   -2.482400       4.529800     -0.3785000    
 H    2.483100       4.528800     -0.3815000    
 H   -1.238500       6.623500     -0.7003000    
 H    1.239500       6.623200     -0.7015000    
 H   -2.409000      -2.321600      -1.523000    
 H    2.408200      -2.325200      -1.520500    
 H   -6.793100      -2.765800      0.7587000    
 H    6.794800      -2.762200      0.7575000    
 H   -6.301100      -1.001600       2.205100    
 H   -4.603600     -0.6709000       2.533800    
 H   -5.498300      0.3103000       1.337000    
 H    4.601900     -0.6701000       2.534000    
 H    6.299600      -1.000800       2.206600    
 H    5.497300      0.3109000       1.337600    
 H   -3.954200      -4.114100      -2.158900    
 H    3.956000      -4.115100      -2.157700    
 H   -6.151100      -4.337700      -1.029300    
 H    6.154200      -4.334800      -1.030000    


%chk=000062618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062618

0 1
O -2.771422 2.044390 0.100567
O 2.771291 2.044658 0.100924
N -2.828496 -0.507866 0.080181
N 2.828604 -0.507626 0.080281
C -0.725008 0.740636 0.076330
C 0.725007 0.740703 0.076371
C -1.444980 -0.510175 0.106432
C 1.445088 -0.510044 0.106506
C -0.712756 3.275553 -0.017638
C 0.712524 3.275620 -0.017578
C -1.466974 2.005067 0.053955
C 1.466856 2.005204 0.054055
C -0.692166 -1.728195 0.255660
C 0.692377 -1.728132 0.255697
C -1.415708 4.507738 -0.074001
C 1.415364 4.507872 -0.073870
C -3.722165 -1.597859 -0.088017
C 3.722346 -1.597578 -0.087810
C -0.710963 5.723229 -0.135028
C 0.710508 5.723297 -0.134961
C -4.999923 -1.513184 0.554693
C 5.000073 -1.512799 0.554947
C -3.421265 -2.705451 -0.927501
C 3.421532 -2.705238 -0.927234
C -5.919500 -2.569274 0.358490
C 5.919716 -2.568849 0.358836
C -5.352356 -0.320618 1.424338
C 5.352409 -0.320159 1.424530
C -4.356024 -3.746385 -1.100859
C 4.356353 -3.746131 -1.100498
C -5.609728 -3.686185 -0.451470
C 5.610032 -3.685822 -0.451071
H -1.228752 -2.664930 0.426501
H 1.229043 -2.664819 0.426554
H -3.207894 0.476133 0.137275
H 3.207925 0.476411 0.137244
H -2.509238 4.476119 -0.068224
H 2.508896 4.476357 -0.068001
H -1.257117 6.671625 -0.181879
H 1.256577 6.671745 -0.181761
H -2.476585 -2.726825 -1.479521
H 2.476866 -2.726699 -1.479275
H -6.895791 -2.513811 0.854533
H 6.895984 -2.513307 0.854914
H -6.330408 -0.467105 1.912182
H -4.593925 -0.153266 2.211746
H -5.410028 0.616391 0.837011
H 4.593836 -0.152671 2.211769
H 6.330360 -0.466649 1.912579
H 5.410253 0.616778 0.837104
H -4.111779 -4.589824 -1.755969
H 4.112174 -4.589626 -1.755561
H -6.341470 -4.490309 -0.583074
H 6.341823 -4.489914 -0.582604


