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	hartrees
Energy at 0K	-301.606694
Energy at 298.15K
HF Energy	-301.606694
Nuclear repulsion energy	162.510830

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	3217	2910	68.90	105.26	0.22	0.36
2	A₁	2086	1887	58.30	46.42	0.12	0.21
3	A₁	1586	1435	2.66	2.22	0.41	0.58
4	A₁	1278	1156	135.44	2.37	0.13	0.23
5	A₁	593	537	1.46	5.08	0.19	0.32
6	A₁	303	274	18.46	0.60	0.49	0.66
7	A₂	1152	1042	0.00	1.44	0.75	0.86
8	A₂	177	160	0.00	0.55	0.75	0.86
9	B₁	1166	1055	2.55	0.63	0.75	0.86
10	B₁	134	122	5.46	0.07	0.75	0.86
11	B₂	3187	2883	2.83	0.99	0.75	0.86
12	B₂	1999	1808	933.81	3.68	0.75	0.86
13	B₂	1525	1380	12.90	3.58	0.75	0.86
14	B₂	1253	1134	718.26	1.02	0.75	0.86
15	B₂	779	705	60.90	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.358
C2	1.164	-0.315
C3	-1.164	-0.315
O4	2.192	0.232
O5	-2.192	0.232
H6	1.049	-1.396
H7	-1.049	-1.396

	O1	C2	C3	O4	O5	H6	H7
O1		1.3447	1.3447	2.1955	2.1955	2.0441	2.0441
C2	1.3447		2.3283	1.1644	3.4003	1.0873	2.4634
C3	1.3447	2.3283		3.4003	1.1644	2.4634	1.0873
O4	2.1955	1.1644	3.4003		4.3838	1.9893	3.6273
O5	2.1955	3.4003	1.1644	4.3838		3.6273	1.9893
H6	2.0441	1.0873	2.4634	1.9893	3.6273		2.0987
H7	2.0441	2.4634	1.0873	3.6273	1.9893	2.0987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.931	O1	C2	H6	113.974
O1	C3	O5	121.931	C2	O1	C3	119.934
O4	C2	H6	124.096

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.287
2	C	0.170
3	C	0.170
4	O	-1.376
5	O	-1.376
6	H	1.349
7	H	1.349

	x	y	z	Total
	0.000	0.000	-3.824	3.824
CHELPG
AIM
ESP

<r²>	121.562
(<r²>)^1/2	11.026