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	hartrees
Energy at 0K	-302.191174
Energy at 298.15K
HF Energy	-301.507282
Nuclear repulsion energy	160.721243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	2936	85.13
2	A₁	2042	1887	39.65
3	A₁	1520	1404	1.64
4	A₁	1241	1147	138.36
5	A₁	573	529	1.21
6	A₁	295	273	15.18
7	A₂	1099	1015	0.00
8	A₂	182	168	0.00
9	B₁	1105	1021	3.62
10	B₁	129	119	4.39
11	B₂	3151	2912	0.20
12	B₂	1960	1811	777.85
13	B₂	1469	1358	21.64
14	B₂	1205	1113	636.96
15	B₂	745	688	43.68

Atom	y (Å)	z (Å)
O1	0.000	0.385
C2	1.166	-0.316
C3	-1.166	-0.316
O4	2.217	0.221
O5	-2.217	0.221
H6	1.020	-1.410
H7	-1.020	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3610	1.3610	2.2229	2.2229	2.0646	2.0646
C2	1.3610		2.3324	1.1800	3.4254	1.1033	2.4443
C3	1.3610	2.3324		3.4254	1.1800	2.4443	1.1033
O4	2.2229	1.1800	3.4254		4.4337	2.0230	3.6243
O5	2.2229	3.4254	1.1800	4.4337		3.6243	2.0230
H6	2.0646	1.1033	2.4443	2.0230	3.6243		2.0396
H7	2.0646	2.4443	1.1033	3.6243	2.0230	2.0396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.884	O1	C2	H6	113.408
O1	C3	O5	121.884	C2	O1	C3	117.937
O4	C2	H6	124.708

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

using model chemistry: CID/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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