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	hartrees
Energy at 0K	-303.022228
Energy at 298.15K
HF Energy	-303.022228
Nuclear repulsion energy	159.676296

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	3039	3039	69.75	121.95	0.24	0.39
2	A₁	1932	1932	32.07	47.06	0.14	0.24
3	A₁	1432	1432	0.01	3.25	0.42	0.59
4	A₁	1164	1164	104.94	2.25	0.10	0.18
5	A₁	545	545	0.57	8.37	0.20	0.34
6	A₁	280	280	15.27	0.60	0.30	0.47
7	A₂	1026	1026	0.00	0.48	0.75	0.86
8	A₂	189	189	0.00	0.49	0.75	0.86
9	B₁	1033	1033	0.01	1.33	0.75	0.86
10	B₁	133	133	5.08	0.06	0.75	0.86
11	B₂	3019	3019	2.47	0.38	0.75	0.86
12	B₂	1850	1850	745.94	2.19	0.75	0.86
13	B₂	1382	1382	9.59	3.97	0.75	0.86
14	B₂	1108	1108	688.26	2.02	0.75	0.86
15	B₂	713	713	45.54	0.08	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.384
C2	1.175	-0.323
C3	-1.175	-0.323
O4	2.228	0.228
O5	-2.228	0.228
H6	1.036	-1.420
H7	-1.036	-1.420

	O1	C2	C3	O4	O5	H6	H7
O1		1.3710	1.3710	2.2338	2.2338	2.0799	2.0799
C2	1.3710		2.3501	1.1886	3.4477	1.1060	2.4682
C3	1.3710	2.3501		3.4477	1.1886	2.4682	1.1060
O4	2.2338	1.1886	3.4477		4.4567	2.0341	3.6566
O5	2.2338	3.4477	1.1886	4.4567		3.6566	2.0341
H6	2.0799	1.1060	2.4682	2.0341	3.6566		2.0717
H7	2.0799	2.4682	1.1060	3.6566	2.0341	2.0717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.389	O1	C2	H6	113.782
O1	C3	O5	121.389	C2	O1	C3	117.976
O4	C2	H6	124.829

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

using model chemistry: wB97X-D/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	-0.290
2	C	1.072
3	C	1.072
4	O	-0.521
5	O	-0.521
6	H	-0.406
7	H	-0.406

	x	y	z	Total
	0.000	0.000	-3.442	3.442
CHELPG
AIM
ESP

<r²>	124.573
(<r²>)^1/2	11.161