%chk=000006034.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006034

0 1
 O  -0.9226000       1.721200     -0.4917000    
 O   -3.255500      -1.498500      0.4859000    
 O   -3.230900      0.3146000     -0.9321000    
 O    3.749800       1.204800     -0.1604000    
 N    2.974800      -1.005100      0.1116000    
 C  -0.3762000      0.4895000     -0.2858000    
 C   -1.184700     -0.6409000     -0.1673000    
 C    1.588200     -0.8836000      1.8200001E-02
 C    1.010200      0.3682000     -0.1929000    
 C  -0.6067000      -1.892700      4.3699998E-02
 C   0.7798000      -2.014100      0.1365000    
 C  -0.6603000       2.718500      0.4931000    
 C   -2.634100     -0.5362000     -0.2611000    
 C   -1.822900       3.687300      0.5356000    
 C    3.940300      6.2000002E-03  1.8999999E-02
 C    5.337900     -0.5388000      0.1738000    
 C   -4.687100      -1.500400      0.4741000    
 H    1.585600       1.276000     -0.3060000    
 H   -1.207500      -2.794700      0.1263000    
 H    1.217000      -2.996200      0.2981000    
 H  -0.5304000       2.267800       1.484900    
 H   0.2574000       3.252800      0.2243000    
 H    3.318300      -1.950900      0.2660000    
 H   -1.649200       4.474900       1.274100    
 H   -1.975700       4.149800     -0.4451000    
 H   -2.750900       3.163800      0.7884000    
 H    5.450000     -0.9918000       1.162900    
 H    6.065400      0.2708000      6.8800002E-02
 H    5.530800      -1.290500     -0.5968000    
 H   -5.055300      -1.667100     -0.5425000    
 H   -5.068700     -0.5560000      0.8735000    
 H   -5.031900      -2.318100       1.112500    


%chk=000006034-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006034

0 1
O -1.218443 1.716031 0.279259
O -3.373658 -1.970893 0.062587
O -3.600720 0.342441 0.182716
O 3.633874 1.249882 0.254200
N 2.909876 -0.981512 0.115952
C -0.557236 0.499341 0.205450
C -1.358201 -0.690362 0.131972
C 1.494861 -0.840888 0.124552
C 0.859129 0.418855 0.202432
C -0.680549 -1.938010 0.056133
C 0.716948 -2.028954 0.050879
C -0.413543 2.960839 0.351289
C -2.843781 -0.654947 0.131908
C -1.412928 4.111458 0.410496
C 3.892182 0.012444 0.176971
C 5.327319 -0.507464 0.141075
C -4.848528 -2.041083 0.056584
H 1.484011 1.309665 0.259614
H -1.289788 -2.842696 0.000269
H 1.204512 -3.009337 -0.009904
H 0.228867 2.929538 1.253996
H 0.236058 3.028653 -0.544259
H 3.247434 -1.944686 0.056956
H -0.874610 5.075192 0.466631
H -2.054481 4.115304 -0.486575
H -2.062958 4.016541 1.296404
H 5.858919 -0.151344 1.040034
H 5.842654 -0.075466 -0.734155
H 5.407280 -1.607440 0.092762
H -5.258045 -1.512247 -0.821253
H -5.262218 -1.582773 0.971246
H -5.079335 -3.115478 0.013377


