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	hartrees
Energy at 0K	-302.758992
Energy at 298.15K
HF Energy	-302.758992
Nuclear repulsion energy	157.723276

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	2930	2890	103.08	114.94	0.29	0.44
2	A₁	1876	1850	23.85	27.57	0.19	0.32
3	A₁	1401	1382	0.34	3.15	0.32	0.49
4	A₁	1100	1085	101.43	5.07	0.19	0.32
5	A₁	518	511	0.29	11.28	0.36	0.53
6	A₁	267	264	11.65	0.73	0.36	0.53
7	A₂	981	967	0.00	1.20	0.75	0.86
8	A₂	181	179	0.00	0.24	0.75	0.86
9	B₁	988	974	0.04	4.23	0.75	0.86
10	B₁	131	129	4.00	0.09	0.75	0.86
11	B₂	2912	2872	0.07	2.40	0.75	0.86
12	B₂	1799	1774	557.41	2.78	0.75	0.86
13	B₂	1351	1332	5.19	9.55	0.75	0.86
14	B₂	1021	1007	551.62	3.04	0.75	0.86
15	B₂	681	672	33.45	0.03	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.398
C2	1.188	-0.325
C3	-1.188	-0.325
O4	2.258	0.223
O5	-2.258	0.223
H6	1.027	-1.427
H7	-1.027	-1.427

	O1	C2	C3	O4	O5	H6	H7
O1		1.3911	1.3911	2.2652	2.2652	2.0947	2.0947
C2	1.3911		2.3763	1.2024	3.4899	1.1137	2.4743
C3	1.3911	2.3763		3.4899	1.2024	2.4743	1.1137
O4	2.2652	1.2024	3.4899		4.5169	2.0587	3.6767
O5	2.2652	3.4899	1.2024	4.5169		3.6767	2.0587
H6	2.0947	1.1137	2.4743	2.0587	3.6767		2.0544
H7	2.0947	2.4743	1.1137	3.6767	2.0587	2.0544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.546	O1	C2	H6	113.030
O1	C3	O5	121.546	C2	O1	C3	117.321
O4	C2	H6	125.424

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

using model chemistry: PBEPBE/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	-0.335
2	C	0.406
3	C	0.406
4	O	-0.343
5	O	-0.343
6	H	0.105
7	H	0.105

	x	y	z	Total
	0.000	0.000	-2.942	2.942
CHELPG
AIM
ESP

<r²>	126.620
(<r²>)^1/2	11.253