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	hartrees
Energy at 0K	-60.428648
Energy at 298.15K
HF Energy	-60.428648
Nuclear repulsion energy	85.459160

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	3040	3040	115.13	131.22	0.29	0.45
2	A₁	1914	1914	31.36	36.60	0.16	0.28
3	A₁	1460	1460	0.02	2.31	0.38	0.56
4	A₁	1154	1154	120.50	3.91	0.17	0.30
5	A₁	538	538	0.40	8.85	0.32	0.48
6	A₁	276	276	15.71	0.76	0.43	0.60
7	A₂	1026	1026	0.00	1.61	0.75	0.86
8	A₂	168	168	0.00	0.63	0.75	0.86
9	B₁	1034	1034	0.03	2.42	0.75	0.86
10	B₁	124	124	4.64	0.14	0.75	0.86
11	B₂	3020	3020	0.40	1.45	0.75	0.86
12	B₂	1835	1835	751.16	3.66	0.75	0.86
13	B₂	1407	1407	16.11	8.21	0.75	0.86
14	B₂	1109	1109	716.42	2.06	0.75	0.86
15	B₂	707	707	47.60	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.386
C2	1.183	-0.325
C3	-1.183	-0.325
O4	2.242	0.228
O5	-2.242	0.228
H6	1.045	-1.421
H7	-1.045	-1.421

	O1	C2	C3	O4	O5	H6	H7
O1		1.3802	1.3802	2.2472	2.2472	2.0870	2.0870
C2	1.3802		2.3664	1.1940	3.4691	1.1049	2.4828
C3	1.3802	2.3664		3.4691	1.1940	2.4828	1.1049
O4	2.2472	1.1940	3.4691		4.4832	2.0373	3.6766
O5	2.2472	3.4691	1.1940	4.4832		3.6766	2.0373
H6	2.0870	1.1049	2.4828	2.0373	3.6766		2.0892
H7	2.0870	2.4828	1.1049	3.6766	2.0373	2.0892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.448	O1	C2	H6	113.782
O1	C3	O5	121.448	C2	O1	C3	118.024
O4	C2	H6	124.769

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

using model chemistry: wB97X-D/CEP-121G*

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	-0.097
2	C	0.135
3	C	0.135
4	O	-0.228
5	O	-0.228
6	H	0.141
7	H	0.141

	x	y	z	Total
	0.000	0.000	-3.598	3.598
CHELPG
AIM
ESP

<r²>	98.985
(<r²>)^1/2	9.949