PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethyl nitrate
1341 Ethyl nitrate
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ΔHf: -36.8 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Ethyl nitrate
HR=C&P1970 H=-36.83
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
H 1.10482398 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51970822 +1 112.8863075 +1 0.0000000 +0 1 2 0
H 1.10448266 +1 109.5680015 +1 126.6154098 +1 1 2 3
O 1.44008629 +1 109.3885952 +1 -113.2321866 +1 1 2 3
N 1.39851353 +1 114.5842297 +1 -61.0481609 +1 5 1 2
O 1.20349569 +1 112.5359821 +1 179.9659671 +1 6 5 1
O 1.20904881 +1 117.4456378 +1 -0.0863623 +1 6 5 1
H 1.09713604 +1 110.8388623 +1 61.1636301 +1 3 1 2
H 1.09864530 +1 111.6730035 +1 -178.6454206 +1 3 1 2
H 1.09901751 +1 111.6333489 +1 -58.9296823 +1 3 1 2