PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
mno4_ani_r
3250 Permanganate anion (Geo)
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REF: DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, Fujitsu Ltd, 2001.
SYMMETRY CHARGE=-1 PM7
Permanganate anion
<Mn-O> GR=B88_LYP
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Mn 1.63800000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.63800000 +1 109.4712210 +1 0.0000000 +0 2 1 0
O 1.63800000 +1 109.4712210 +1 -120.0000000 +1 2 1 3
O 1.63800000 +1 109.4712210 +1 120.0000000 +1 2 1 3