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about DLC

Gomathi
tgomathi_goms@yahoo.co.in


Hi,

can anyone help me in explaining this following ifzmat.

Thank you

regards
gomathi


zmat dlc=1 auto=1 ifzmat(1)=3,1,2,6,8 scan=.t. DLCTOL=1D-7 $end                
$surf orig1=0 disp1=3 ndisp1=121 reuse=.t. $end                                  
!
! 2D scan
! $zmat dlc=1 auto=1 ifzmat(1)=2,2,3,4, 3,1,2,6,8 scan=.t. DLCTOL=1D-7 $end
! $surf orig1=100 disp1=5 ndisp1=3 orig2=10 disp2=10 ndisp2=12 reuse=.t. $end

O           8.0   0.0374557837  -1.1027096878  -0.3376953819
C           6.0  -0.7964523310   0.1095440073  -0.4758062859
N           7.0   0.1154272554   1.2394362543  -0.2622262147
C           6.0   1.2851496962   0.6560737192   0.3759656047
O           8.0   1.1964117525  -0.7958132340   0.1745293777
C           6.0  -1.9330312967   0.0214472911   0.5314082852
H           1.0  -1.5375980169  -0.0389777264   1.5730971108
H           1.0  -2.5258618719  -0.9004185610   0.3200348483
H           1.0  -2.5919598392   0.9167531937   0.4409660129
H           1.0  -1.1990582309   0.0737050240  -1.5269253078
H           1.0   0.3526816463   1.6713979564  -1.1350298150
H           1.0   1.2501648737   0.8326689594   1.4840207961
H           1.0   2.2629141988   0.9831942031  -0.0617411589


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