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	hartrees
Energy at 0K	-301.482345
Energy at 298.15K
HF Energy	-301.482345
Nuclear repulsion energy	161.952676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3285	2951	94.86	98.63	0.27	0.42
2	A	2123	1907	59.37	30.80	0.18	0.30
3	A	1611	1447	2.81	1.20	0.36	0.52
4	A	1285	1155	158.78	4.14	0.24	0.39
5	A	1162	1044	0.00	3.78	0.75	0.86
6	A	592	532	1.94	4.98	0.36	0.53
7	A	302	271	18.60	0.88	0.62	0.77
8	A	168	151	0.00	0.78	0.75	0.86
9	B	3258	2927	0.28	3.09	0.75	0.86
10	B	2040	1833	882.17	4.64	0.75	0.86
11	B	1555	1397	18.82	8.65	0.75	0.86
12	B	1276	1146	670.75	1.12	0.75	0.86
13	B	1172	1053	11.05	2.70	0.75	0.86
14	B	773	694	56.10	0.03	0.75	0.86
15	B	132	119	4.24	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.356
C2	0.000	1.168	-0.317
C3	0.000	-1.168	-0.317
O4	0.000	2.200	0.234
O5	-0.000	-2.200	0.234
H6	-0.001	1.054	-1.397
H7	0.001	-1.054	-1.397

	O1	C2	C3	O4	O5	H6	H7
O1		1.3477	1.3477	2.2037	2.2037	2.0457	2.0457
C2	1.3477		2.3360	1.1702	3.4131	1.0865	2.4712
C3	1.3477	2.3360		3.4131	1.1702	2.4712	1.0865
O4	2.2037	1.1702	3.4131		4.4007	1.9939	3.6408
O5	2.2037	3.4131	1.1702	4.4007		3.6408	1.9939
H6	2.0457	1.0865	2.4712	1.9939	3.6408		2.1088
H7	2.0457	2.4712	1.0865	3.6408	1.9939	2.1088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.977	O1	C2	H6	113.927
O1	C3	O5	121.977	C2	O1	C3	120.142
O4	C2	H6	124.096

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

using model chemistry: HF/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	-0.535
2	C	0.553
3	C	0.553
4	O	-0.454
5	O	-0.454
6	H	0.168
7	H	0.168

	x	y	z	Total
	0.000	0.000	-3.910	3.910
CHELPG
AIM
ESP

<r²>	122.139
(<r²>)^1/2	11.052