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	hartrees
Energy at 0K	-302.833695
Energy at 298.15K
HF Energy	-302.564805
Nuclear repulsion energy	158.881634

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	2911	95.03	125.17	0.27	0.42
2	A₁	1906	1826	26.64	22.03	0.20	0.33
3	A₁	1437	1376	0.01	4.25	0.33	0.49
4	A₁	1148	1100	112.73	4.42	0.19	0.32
5	A₁	536	513	0.47	10.00	0.34	0.51
6	A₁	279	268	12.29	0.78	0.46	0.63
7	A₂	1025	982	0.00	1.56	0.75	0.86
8	A₂	186	178	0.00	0.27	0.75	0.86
9	B₁	1030	986	0.67	3.01	0.75	0.86
10	B₁	129	124	4.09	0.13	0.75	0.86
11	B₂	3016	2888	0.21	1.64	0.75	0.86
12	B₂	1827	1750	630.41	3.34	0.75	0.86
13	B₂	1388	1329	10.13	8.81	0.75	0.86
14	B₂	1080	1034	614.54	2.57	0.75	0.86
15	B₂	707	677	38.96	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.399
C2	1.178	-0.321
C3	-1.178	-0.321
O4	2.242	0.219
O5	-2.242	0.219
H6	1.014	-1.419
H7	-1.014	-1.419

	O1	C2	C3	O4	O5	H6	H7
O1		1.3802	1.3802	2.2497	2.2497	2.0820	2.0820
C2	1.3802		2.3551	1.1937	3.4623	1.1104	2.4517
C3	1.3802	2.3551		3.4623	1.1937	2.4517	1.1104
O4	2.2497	1.1937	3.4623		4.4849	2.0470	3.6454
O5	2.2497	3.4623	1.1937	4.4849		3.6454	2.0470
H6	2.0820	1.1104	2.4517	2.0470	3.6454		2.0287
H7	2.0820	2.4517	1.1104	3.6454	2.0470	2.0287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.700	O1	C2	H6	112.987
O1	C3	O5	121.700	C2	O1	C3	117.121
O4	C2	H6	125.313

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

using model chemistry: B2PLYP/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	-0.204
2	C	0.247
3	C	0.247
4	O	-0.167
5	O	-0.167
6	H	0.022
7	H	0.022

	x	y	z	Total
	0.000	0.000	-3.093	3.093
CHELPG
AIM
ESP

<r²>	125.141
(<r²>)^1/2	11.187