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	hartrees
Energy at 0K	-301.534381
Energy at 298.15K
HF Energy	-301.534381
Nuclear repulsion energy	159.531063

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	2911	2864	89.87	110.98	0.27	0.43
2	A₁	1931	1899	25.46	27.56	0.20	0.33
3	A₁	1389	1366	0.89	3.41	0.32	0.49
4	A₁	1144	1126	111.05	4.64	0.20	0.33
5	A₁	541	532	0.73	10.11	0.36	0.53
6	A₁	276	272	12.83	0.80	0.39	0.56
7	A₂	989	973	0.00	1.09	0.75	0.86
8	A₂	196	192	0.00	0.26	0.75	0.86
9	B₁	998	981	0.04	4.67	0.75	0.86
10	B₁	137	134	4.47	0.10	0.75	0.86
11	B₂	2897	2850	0.94	1.40	0.75	0.86
12	B₂	1851	1821	567.61	2.70	0.75	0.86
13	B₂	1339	1317	4.47	9.00	0.75	0.86
14	B₂	1100	1082	527.23	2.99	0.75	0.86
15	B₂	697	686	29.83	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.394
C2	1.168	-0.319
C3	-1.168	-0.319
O4	2.233	0.220
O5	-2.233	0.220
H6	1.000	-1.424
H7	-1.000	-1.424

	O1	C2	C3	O4	O5	H6	H7
O1		1.3680	1.3680	2.2396	2.2396	2.0744	2.0744
C2	1.3680		2.3359	1.1934	3.4432	1.1176	2.4335
C3	1.3680	2.3359		3.4432	1.1934	2.4335	1.1176
O4	2.2396	1.1934	3.4432		4.4658	2.0545	3.6270
O5	2.2396	3.4432	1.1934	4.4658		3.6270	2.0545
H6	2.0744	1.1176	2.4335	2.0545	3.6270		2.0006
H7	2.0744	2.4335	1.1176	3.6270	2.0545	2.0006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.787	O1	C2	H6	112.750
O1	C3	O5	121.787	C2	O1	C3	117.242
O4	C2	H6	125.463

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

using model chemistry: SVWN/6-31G**

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	-0.288
2	C	0.350
3	C	0.350
4	O	-0.323
5	O	-0.323
6	H	0.117
7	H	0.117

	x	y	z	Total
	0.000	0.000	-2.908	2.908
CHELPG
AIM
ESP

<r²>	124.035
(<r²>)^1/2	11.137