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	hartrees
Energy at 0K	-303.164987
Energy at 298.15K
HF Energy	-303.164987
Nuclear repulsion energy	157.641084

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	2920	2920	90.42	136.59	0.26	0.42
2	A₁	1820	1820	26.04	36.68	0.19	0.32
3	A₁	1390	1390	0.18	3.65	0.34	0.50
4	A₁	1062	1062	91.68	3.16	0.18	0.30
5	A₁	504	504	0.07	12.12	0.27	0.43
6	A₁	263	263	11.90	0.71	0.29	0.45
7	A₂	973	973	0.00	0.68	0.75	0.86
8	A₂	174	174	0.00	0.30	0.75	0.86
9	B₁	981	981	0.14	1.94	0.75	0.86
10	B₁	128	128	4.41	0.10	0.75	0.86
11	B₂	2899	2899	1.01	1.52	0.75	0.86
12	B₂	1745	1745	613.62	3.00	0.75	0.86
13	B₂	1339	1339	5.28	5.70	0.75	0.86
14	B₂	950	950	633.87	3.06	0.75	0.86
15	B₂	680	680	49.50	0.13	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.394
C2	1.199	-0.327
C3	-1.199	-0.327
O4	2.260	0.226
O5	-2.260	0.226
H6	1.047	-1.423
H7	-1.047	-1.423

	O1	C2	C3	O4	O5	H6	H7
O1		1.3983	1.3983	2.2657	2.2657	2.0965	2.0965
C2	1.3983		2.3971	1.1962	3.5019	1.1067	2.4987
C3	1.3983	2.3971		3.5019	1.1962	2.4987	1.1067
O4	2.2657	1.1962	3.5019		4.5190	2.0468	3.6946
O5	2.2657	3.5019	1.1962	4.5190		3.6946	2.0468
H6	2.0965	1.1067	2.4987	2.0468	3.6946		2.0936
H7	2.0965	2.4987	1.1067	3.6946	2.0468	2.0936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.487	O1	C2	H6	113.119
O1	C3	O5	121.487	C2	O1	C3	117.996
O4	C2	H6	125.394

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

using model chemistry: BLYP/Def2TZVPP

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	-0.127
2	C	0.160
3	C	0.160
4	O	-0.178
5	O	-0.178
6	H	0.082
7	H	0.082

	x	y	z	Total
	0.000	0.000	-3.193	3.193
CHELPG
AIM
ESP

<r²>	127.687
(<r²>)^1/2	11.300