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	hartrees
Energy at 0K	-302.791816
Energy at 298.15K
HF Energy	-302.791816
Nuclear repulsion energy	155.008054

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	2999	2999	110.08	135.47	0.30	0.46
2	A₁	1777	1777	18.78	24.70	0.17	0.29
3	A₁	1424	1424	0.44	2.52	0.30	0.46
4	A₁	1012	1012	91.72	7.74	0.21	0.35
5	A₁	493	493	0.19	15.19	0.39	0.56
6	A₁	248	248	11.60	0.77	0.44	0.62
7	A₂	975	975	0.00	1.68	0.75	0.86
8	A₂	160	160	0.00	0.57	0.75	0.86
9	B₁	986	986	0.35	3.23	0.75	0.86
10	B₁	127	127	2.38	0.08	0.75	0.86
11	B₂	2983	2983	1.44	5.94	0.75	0.86
12	B₂	1694	1694	528.79	2.34	0.75	0.86
13	B₂	1376	1376	1.88	13.73	0.75	0.86
14	B₂	947	947	591.74	2.74	0.75	0.86
15	B₂	657	657	45.20	0.02	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.389
C2	1.222	-0.336
C3	-1.222	-0.336
O4	2.300	0.236
O5	-2.300	0.236
H6	1.079	-1.430
H7	-1.079	-1.430

	O1	C2	C3	O4	O5	H6	H7
O1		1.4211	1.4211	2.3048	2.3048	2.1145	2.1145
C2	1.4211		2.4444	1.2203	3.5682	1.1027	2.5476
C3	1.4211	2.4444		3.5682	1.2203	2.5476	1.1027
O4	2.3048	1.2203	3.5682		4.5995	2.0654	3.7670
O5	2.3048	3.5682	1.2203	4.5995		3.7670	2.0654
H6	2.1145	1.1027	2.5476	2.0654	3.7670		2.1578
H7	2.1145	2.5476	1.1027	3.7670	2.0654	2.1578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.330	O1	C2	H6	113.218
O1	C3	O5	121.330	C2	O1	C3	118.632
O4	C2	H6	125.453

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

using model chemistry: B97D3/6-31G

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	-0.408
2	C	0.371
3	C	0.371
4	O	-0.318
5	O	-0.318
6	H	0.151
7	H	0.151

	x	y	z	Total
	0.000	0.000	-3.693	3.693
CHELPG
AIM
ESP

<r²>	131.473
(<r²>)^1/2	11.466