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	hartrees
Energy at 0K	-303.034867
Energy at 298.15K
HF Energy	-303.034867
Nuclear repulsion energy	158.571940

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	2939	2899	101.29	134.12	0.26	0.42
2	A₁	1854	1829	26.08	37.05	0.19	0.32
3	A₁	1407	1387	0.16	3.68	0.32	0.49
4	A₁	1090	1075	96.94	3.11	0.17	0.28
5	A₁	516	509	0.11	11.23	0.27	0.43
6	A₁	269	266	12.30	0.71	0.30	0.46
7	A₂	986	973	0.00	0.68	0.75	0.86
8	A₂	176	173	0.00	0.33	0.75	0.86
9	B₁	995	981	0.05	1.87	0.75	0.86
10	B₁	128	126	4.77	0.10	0.75	0.86
11	B₂	2918	2878	1.19	1.29	0.75	0.86
12	B₂	1776	1752	633.90	3.14	0.75	0.86
13	B₂	1351	1333	4.73	5.39	0.75	0.86
14	B₂	985	972	638.99	2.89	0.75	0.86
15	B₂	691	682	45.85	0.09	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.394
C2	1.188	-0.323
C3	-1.188	-0.323
O4	2.247	0.223
O5	-2.247	0.223
H6	1.034	-1.418
H7	-1.034	-1.418

	O1	C2	C3	O4	O5	H6	H7
O1		1.3878	1.3878	2.2531	2.2531	2.0857	2.0857
C2	1.3878		2.3767	1.1907	3.4780	1.1056	2.4770
C3	1.3878	2.3767		3.4780	1.1907	2.4770	1.1056
O4	2.2531	1.1907	3.4780		4.4931	2.0404	3.6676
O5	2.2531	3.4780	1.1907	4.4931		3.6676	2.0404
H6	2.0857	1.1056	2.4770	2.0404	3.6676		2.0671
H7	2.0857	2.4770	1.1056	3.6676	2.0404	2.0671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.612	O1	C2	H6	113.053
O1	C3	O5	121.612	C2	O1	C3	117.799
O4	C2	H6	125.335

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

using model chemistry: B97D3/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	-0.105
2	C	0.192
3	C	0.192
4	O	-0.194
5	O	-0.194
6	H	0.055
7	H	0.055

	x	y	z	Total
	0.000	0.000	-3.130	3.130
CHELPG
AIM
ESP

<r²>	126.066
(<r²>)^1/2	11.228