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	hartrees
Energy at 0K	-302.856907
Energy at 298.15K
HF Energy	-302.856907
Nuclear repulsion energy	160.166600

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	3020	2900	98.08	121.74	0.27	0.42
2	A₁	1952	1875	32.72	27.56	0.20	0.33
3	A₁	1447	1390	0.04	2.88	0.33	0.50
4	A₁	1163	1117	124.91	3.58	0.28	0.43
5	A₁	546	524	0.51	8.53	0.35	0.51
6	A₁	279	268	14.40	0.77	0.41	0.58
7	A₂	1039	998	0.00	1.54	0.75	0.86
8	A₂	186	179	0.00	0.41	0.75	0.86
9	B₁	1045	1004	0.65	2.45	0.75	0.86
10	B₁	131	126	4.54	0.14	0.75	0.86
11	B₂	2999	2880	0.95	1.65	0.75	0.86
12	B₂	1874	1799	697.32	3.34	0.75	0.86
13	B₂	1396	1341	7.78	6.98	0.75	0.86
14	B₂	1105	1061	629.00	1.90	0.75	0.86
15	B₂	718	689	46.07	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.388
C2	1.172	-0.318
C3	-1.172	-0.318
O4	2.225	0.221
O5	-2.225	0.221
H6	1.020	-1.411
H7	-1.020	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3684	1.3684	2.2309	2.2309	2.0677	2.0677
C2	1.3684		2.3449	1.1823	3.4396	1.1033	2.4500
C3	1.3684	2.3449		3.4396	1.1823	2.4500	1.1033
O4	2.2309	1.1823	3.4396		4.4493	2.0282	3.6323
O5	2.2309	3.4396	1.1823	4.4493		3.6323	2.0282
H6	2.0677	1.1033	2.4500	2.0282	3.6323		2.0407
H7	2.0677	2.4500	1.1033	3.6323	2.0282	2.0407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.828	O1	C2	H6	113.121
O1	C3	O5	121.828	C2	O1	C3	117.916
O4	C2	H6	125.051

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

using model chemistry: HSEh1PBE/6-311G**

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	-0.216
2	C	0.281
3	C	0.281
4	O	-0.261
5	O	-0.261
6	H	0.088
7	H	0.088

	x	y	z	Total
	0.000	0.000	-3.289	3.289
CHELPG
AIM
ESP

<r²>	123.735
(<r²>)^1/2	11.124