PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
K(Cp)r
2662 Potassium cyclopentadienide (Geo)
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REF: 6-31G(d) basis set using the B3LYP Density Functional
PM7
Potassium cyclopentadienide
<K-C> GR=B3LYP
K 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.88481100 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.41786501 +1 74.4150511 +1 0.0000000 +0 2 1 0
C 1.41933962 +1 108.0270935 +1 68.0253761 +1 3 2 1
C 1.41971573 +1 107.9448114 +1 -0.3158342 +1 4 3 2
C 1.41769775 +1 74.5652177 +1 114.2419183 +1 2 1 3
H 1.06679008 +1 121.3712367 +1 122.8944674 +1 2 1 6
H 1.06699675 +1 125.7954278 +1 173.4832474 +1 3 2 4
H 1.06735849 +1 125.8120114 +1 172.7165608 +1 4 3 5
H 1.06739272 +1 125.8229753 +1 172.8208413 +1 5 4 3
H 1.06701132 +1 125.8272644 +1 118.6381604 +1 6 2 1