|
CHARGE=1 PM7 Allyl, cation H=226 HR=HHKS1986 H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.11046099 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 1.37853498 +1 118.7931349 +1 0.0000000 +0 2 1 0 C 1.37853840 +1 118.7574270 +1 180.0000000 +0 2 1 3 H 1.10030524 +1 121.8148983 +1 0.0003183 +1 3 2 1 H 1.09576379 +1 123.6913517 +1 -179.9995912 +1 3 2 1 H 1.10027931 +1 121.8256001 +1 0.0004004 +1 4 2 1 H 1.09576721 +1 123.6880543 +1 -179.9995162 +1 4 2 1