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	hartrees
Energy at 0K	-302.459189
Energy at 298.15K
HF Energy	-301.606217
Nuclear repulsion energy	161.770598

Atom	y (Å)	z (Å)
O1	0.000	0.376
C2	1.162	-0.316
C3	-1.162	-0.316
O4	2.203	0.224
O5	-2.203	0.224
H6	1.028	-1.396
H7	-1.028	-1.396

	O1	C2	C3	O4	O5	H6	H7
O1		1.3519	1.3519	2.2081	2.2081	2.0483	2.0483
C2	1.3519		2.3230	1.1727	3.4073	1.0883	2.4413
C3	1.3519	2.3230		3.4073	1.1727	2.4413	1.0883
O4	2.2081	1.1727	3.4073		4.4057	2.0008	3.6139
O5	2.2081	3.4073	1.1727	4.4057		3.6139	2.0008
H6	2.0483	1.0883	2.4413	2.0008	3.6139		2.0558
H7	2.0483	2.4413	1.0883	3.6139	2.0008	2.0558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.841	O1	C2	H6	113.722
O1	C3	O5	121.841	C2	O1	C3	118.452
O4	C2	H6	124.437

All results from a given calculation for CHOOCHO (diformyl ether)

using model chemistry: CID/daug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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