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	hartrees
Energy at 0K	-301.370591
Energy at 298.15K
HF Energy	-301.370591
Nuclear repulsion energy	158.655779

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	3306	2975	84.92	111.20	0.29	0.45
2	A₁	1971	1774	45.94	46.86	0.15	0.26
3	A₁	1570	1413	0.43	1.91	0.39	0.56
4	A₁	1157	1041	152.62	5.42	0.33	0.50
5	A₁	557	502	1.56	7.14	0.38	0.55
6	A₁	261	235	19.35	1.28	0.72	0.84
7	A₂	1121	1009	0.00	5.32	0.75	0.86
8	A₂	145	131	0.00	1.81	0.75	0.86
9	B₁	1129	1016	1.78	0.23	0.75	0.86
10	B₁	127	114	1.18	0.12	0.75	0.86
11	B₂	3288	2959	0.31	6.40	0.75	0.86
12	B₂	1886	1698	913.09	6.98	0.75	0.86
13	B₂	1529	1376	7.40	13.57	0.75	0.86
14	B₂	1230	1107	747.64	0.92	0.75	0.86
15	B₂	727	654	67.70	0.03	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.329
C2	1.207	-0.330
C3	-1.207	-0.330
O4	2.247	0.259
O5	-2.247	0.259
H6	1.124	-1.409
H7	-1.124	-1.409

	O1	C2	C3	O4	O5	H6	H7
O1		1.3745	1.3745	2.2479	2.2479	2.0695	2.0695
C2	1.3745		2.4130	1.1953	3.5031	1.0825	2.5682
C3	1.3745	2.4130		3.5031	1.1953	2.5682	1.0825
O4	2.2479	1.1953	3.5031		4.4935	2.0108	3.7607
O5	2.2479	3.5031	1.1953	4.4935		3.7607	2.0108
H6	2.0695	1.0825	2.5682	2.0108	3.7607		2.2476
H7	2.0695	2.5682	1.0825	3.7607	2.0108	2.2476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.871	O1	C2	H6	114.241
O1	C3	O5	121.871	C2	O1	C3	122.754
O4	C2	H6	123.887

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

using model chemistry: HF/LANL2DZ

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	-0.421
2	C	0.306
3	C	0.306
4	O	-0.280
5	O	-0.280
6	H	0.185
7	H	0.185

	x	y	z	Total
	0.000	0.000	-5.106	5.106
CHELPG
AIM
ESP

<r²>	128.018
(<r²>)^1/2	11.315