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34.3.1 Allene Z-matrix

Input: allene_optscf.com

Output: allene_optscf.out

Results: 

 ITER.   ENERGY(OLD)    ENERGY(NEW)      DE          GRADMAX 
   1  -114.41781970  -114.42128294    -0.00346324  0.10090139
   2  -114.42128294  -114.42170099    -0.00041806  0.02723890
   3  -114.42170099  -114.42171728    -0.00001629  0.00670578
   4  -114.42171728  -114.42171910    -0.00000182  0.00220625
   5  -114.42171910  -114.42171910     0.00000000  0.00000895


P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002