PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(c2h4)(po4h)-ome anion
2010 (C2H4)(PO4H)-OMe, anion
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ΔHf: -328.6 kcal/mol, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
CHARGE=-1 PM7
(C2H4)(PO4H)-OMe, anion
H=-328.6 HR=PW91D
P 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.49292473 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.64754130 +1 126.7264592 +1 0.0000000 +0 1 2 0
C 1.55371801 +1 73.7183499 +1 81.4534088 +1 3 1 2
O 1.73333317 +1 99.6334772 +1 -123.4190854 +1 1 2 3
O 1.41720354 +1 34.2771124 +1 -179.3916709 +1 3 1 4
O 1.65155241 +1 120.1427324 +1 -89.8757445 +1 1 2 5
O 1.40294608 +1 106.7788038 +1 -7.9462905 +1 4 3 1
H 1.10253932 +1 121.5682486 +1 72.5644822 +1 3 1 6
H 1.10291229 +1 120.7401990 +1 -145.8990473 +1 3 1 9
C 1.41050114 +1 125.0690578 +1 57.7179425 +1 5 1 2
H 1.10438651 +1 112.3902964 +1 119.9161167 +1 4 3 8
H 1.10383878 +1 112.6025842 +1 124.2037946 +1 4 3 12
H 1.01910572 +1 108.8739323 +1 85.5926715 +1 7 1 2
H 1.09763999 +1 111.0546853 +1 80.0344703 +1 11 5 1
H 1.10071186 +1 102.7871263 +1 117.3118612 +1 11 5 15
H 1.09767399 +1 114.2814834 +1 118.0209472 +1 11 5 16