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	hartrees
Energy at 0K	-302.953891
Energy at 298.15K
HF Energy	-302.953891
Nuclear repulsion energy	157.819474

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	2951	2951	93.55	139.53	0.27	0.42
2	A₁	1840	1840	24.65	53.36	0.15	0.26
3	A₁	1386	1386	0.27	3.55	0.44	0.61
4	A₁	1084	1084	90.66	2.30	0.08	0.15
5	A₁	510	510	0.09	11.83	0.21	0.35
6	A₁	267	267	12.70	0.69	0.19	0.31
7	A₂	973	973	0.00	0.20	0.75	0.86
8	A₂	185	185	0.00	0.39	0.75	0.86
9	B₁	980	980	0.31	2.00	0.75	0.86
10	B₁	130	130	4.74	0.07	0.75	0.86
11	B₂	2930	2930	2.12	0.47	0.75	0.86
12	B₂	1762	1762	657.34	2.08	0.75	0.86
13	B₂	1336	1336	4.85	4.19	0.75	0.86
14	B₂	976	976	647.05	3.23	0.75	0.86
15	B₂	681	681	44.64	0.24	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.397
C2	1.191	-0.327
C3	-1.191	-0.327
O4	2.256	0.225
O5	-2.256	0.225
H6	1.037	-1.427
H7	-1.037	-1.427

	O1	C2	C3	O4	O5	H6	H7
O1		1.3936	1.3936	2.2621	2.2621	2.0975	2.0975
C2	1.3936		2.3827	1.1987	3.4908	1.1107	2.4852
C3	1.3936	2.3827		3.4908	1.1987	2.4852	1.1107
O4	2.2621	1.1987	3.4908		4.5112	2.0524	3.6837
O5	2.2621	3.4908	1.1987	4.5112		3.6837	2.0524
H6	2.0975	1.1107	2.4852	2.0524	3.6837		2.0743
H7	2.0975	2.4852	1.1107	3.6837	2.0524	2.0743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.349	O1	C2	H6	113.276
O1	C3	O5	121.349	C2	O1	C3	117.489
O4	C2	H6	125.375

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

using model chemistry: B97D3/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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Number	Element	Mulliken
1	O	-0.227
2	C	1.114
3	C	1.114
4	O	-0.567
5	O	-0.567
6	H	-0.433
7	H	-0.433

	x	y	z	Total
	0.000	0.000	-3.210	3.210
CHELPG
AIM
ESP

<r²>	127.127
(<r²>)^1/2	11.275