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	hartrees
Energy at 0K	-303.086605
Energy at 298.15K
HF Energy	-303.086605
Nuclear repulsion energy	160.385227

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	3063	3063	58.47	112.42	0.23	0.37
2	A₁	1958	1958	35.19	47.96	0.14	0.24
3	A₁	1467	1467	0.21	3.00	0.46	0.63
4	A₁	1180	1180	111.22	2.59	0.15	0.26
5	A₁	555	555	0.91	7.55	0.21	0.34
6	A₁	288	288	14.76	0.61	0.35	0.52
7	A₂	1039	1039	0.00	0.62	0.75	0.86
8	A₂	185	185	0.00	0.46	0.75	0.86
9	B₁	1050	1050	0.09	1.25	0.75	0.86
10	B₁	131	131	4.99	0.07	0.75	0.86
11	B₂	3041	3041	2.11	0.54	0.75	0.86
12	B₂	1877	1877	765.52	2.64	0.75	0.86
13	B₂	1403	1403	10.80	4.23	0.75	0.86
14	B₂	1135	1135	700.66	1.73	0.75	0.86
15	B₂	722	722	50.19	0.05	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.381
C2	1.173	-0.320
C3	-1.173	-0.320
O4	2.220	0.226
O5	-2.220	0.226
H6	1.034	-1.410
H7	-1.034	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3663	1.3663	2.2258	2.2258	2.0674	2.0674
C2	1.3663		2.3459	1.1810	3.4369	1.0986	2.4611
C3	1.3663	2.3459		3.4369	1.1810	2.4611	1.0986
O4	2.2258	1.1810	3.4369		4.4408	2.0205	3.6419
O5	2.2258	3.4369	1.1810	4.4408		3.6419	2.0205
H6	2.0674	1.0986	2.4611	2.0205	3.6419		2.0675
H7	2.0674	2.4611	1.0986	3.6419	2.0205	2.0675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.637	O1	C2	H6	113.570
O1	C3	O5	121.637	C2	O1	C3	118.300
O4	C2	H6	124.793

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

using model chemistry: M06-2X/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	-0.070
2	C	0.201
3	C	0.201
4	O	-1.522
5	O	-1.522
6	H	1.356
7	H	1.356

	x	y	z	Total
	0.000	0.000	-3.478	3.478
CHELPG
AIM
ESP

<r²>	123.855
(<r²>)^1/2	11.129