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	hartrees
Energy at 0K	-60.304330
Energy at 298.15K
HF Energy	-60.304330
Nuclear repulsion energy	83.111248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3057	2961	128.75	134.16	0.34	0.50
2	A₁	1760	1704	15.59	38.07	0.14	0.25
3	A₁	1427	1382	0.32	3.15	0.31	0.47
4	A₁	1026	994	103.05	6.47	0.26	0.42
5	A₁	494	479	0.33	14.25	0.36	0.53
6	A₁	242	234	16.17	0.63	0.43	0.60
7	A₂	973	942	0.00	1.35	0.75	0.86
8	A₂	146	141	0.00	0.88	0.75	0.86
9	B₁	982	951	3.67	0.28	0.75	0.86
10	B₁	123	119	2.93	0.08	0.75	0.86
11	B₂	3038	2942	0.41	5.77	0.75	0.86
12	B₂	1679	1626	623.15	2.94	0.75	0.86
13	B₂	1380	1336	7.08	13.65	0.75	0.86
14	B₂	1019	986	675.10	2.77	0.75	0.86
15	B₂	656	636	47.43	0.02	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.384
C2	1.225	-0.339
C3	-1.225	-0.339
O4	2.308	0.242
O5	-2.308	0.242
H6	1.096	-1.439
H7	-1.096	-1.439

	O1	C2	C3	O4	O5	H6	H7
O1		1.4225	1.4225	2.3126	2.3126	2.1277	2.1277
C2	1.4225		2.4503	1.2286	3.5806	1.1084	2.5689
C3	1.4225	2.4503		3.5806	1.2286	2.5689	1.1084
O4	2.3126	1.2286	3.5806		4.6164	2.0725	3.7966
O5	2.3126	3.5806	1.2286	4.6164		3.7966	2.0725
H6	2.1277	1.1084	2.5689	2.0725	3.7966		2.1919
H7	2.1277	2.5689	1.1084	3.7966	2.0725	2.1919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.282	O1	C2	H6	113.849
O1	C3	O5	121.282	C2	O1	C3	118.917
O4	C2	H6	124.869

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

using model chemistry: B3LYP/CEP-31G

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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Number	Element	Mulliken
1	O	-0.068
2	C	-0.121
3	C	-0.121
4	O	-0.027
5	O	-0.027
6	H	0.183
7	H	0.183

	x	y	z	Total
	0.000	0.000	-4.537	4.537
CHELPG
AIM
ESP

<r²>	104.669
(<r²>)^1/2	10.231