0 0 2 Cu(I) STO3G Charge in Reduced SOD CU.dat CU INT 0 CORRECT OMIT DU BEG 0.0 1 DUMM DU M 0 -1 -2 0.0000 0.0000 0.0000 0.0 2 DUMM DU M 1 0 -1 1.0000 0.0000 0.0000 0.0 3 DUMM DU M 2 1 0 1.0000 90.0000 180.0 0.0 4 CU CU M 3 2 1 1.0000 0.0000 0.0000 0.396 DONE STOP