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	hartrees
Energy at 0K	-302.246038
Energy at 298.15K
HF Energy	-301.530275
Nuclear repulsion energy	160.413763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3182	59.89
2	A₁	1999	1999	36.17
3	A₁	1509	1509	0.37
4	A₁	1219	1219	116.08
5	A₁	567	567	0.89
6	A₁	295	295	16.56
7	A₂	1079	1079	0.00
8	A₂	180	180	0.00
9	B₁	1093	1093	0.43
10	B₁	132	132	5.42
11	B₂	3157	3157	2.21
12	B₂	1916	1916	813.43
13	B₂	1453	1453	14.31
14	B₂	1173	1173	696.54
15	B₂	737	737	49.49

Atom	y (Å)	z (Å)
O1	0.000	0.384
C2	1.169	-0.319
C3	-1.169	-0.319
O4	2.220	0.223
O5	-2.220	0.223
H6	1.031	-1.409
H7	-1.031	-1.409

	O1	C2	C3	O4	O5	H6	H7
O1		1.3644	1.3644	2.2263	2.2263	2.0681	2.0681
C2	1.3644		2.3388	1.1828	3.4330	1.0983	2.4558
C3	1.3644	2.3388		3.4330	1.1828	2.4558	1.0983
O4	2.2263	1.1828	3.4330		4.4409	2.0194	3.6385
O5	2.2263	3.4330	1.1828	4.4409		3.6385	2.0194
H6	2.0681	1.0983	2.4558	2.0194	3.6385		2.0628
H7	2.0681	2.4558	1.0983	3.6385	2.0194	2.0628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.687	O1	C2	H6	113.793
O1	C3	O5	121.687	C2	O1	C3	117.979
O4	C2	H6	124.520

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

using model chemistry: CID/daug-cc-pVDZ

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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