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	hartrees
Energy at 0K	-303.158981
Energy at 298.15K
HF Energy	-303.158981
Nuclear repulsion energy	159.064512

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	3015	2904	116.36	125.25	0.30	0.46
2	A₁	1903	1833	29.11	29.07	0.20	0.33
3	A₁	1451	1397	0.00	2.51	0.33	0.50
4	A₁	1125	1084	117.50	3.92	0.25	0.40
5	A₁	527	508	0.23	10.07	0.35	0.52
6	A₁	269	260	13.63	0.71	0.34	0.51
7	A₂	1013	975	0.00	1.46	0.75	0.86
8	A₂	180	173	0.00	0.37	0.75	0.86
9	B₁	1019	981	0.24	2.70	0.75	0.86
10	B₁	129	124	4.26	0.13	0.75	0.86
11	B₂	2994	2884	0.32	2.02	0.75	0.86
12	B₂	1826	1759	671.65	3.04	0.75	0.86
13	B₂	1399	1348	9.15	8.11	0.75	0.86
14	B₂	1046	1008	624.61	2.28	0.75	0.86
15	B₂	700	674	45.92	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.392
C2	1.183	-0.322
C3	-1.183	-0.322
O4	2.240	0.222
O5	-2.240	0.222
H6	1.032	-1.413
H7	-1.032	-1.413

	O1	C2	C3	O4	O5	H6	H7
O1		1.3817	1.3817	2.2468	2.2468	2.0790	2.0790
C2	1.3817		2.3659	1.1887	3.4661	1.1015	2.4687
C3	1.3817	2.3659		3.4661	1.1887	2.4687	1.1015
O4	2.2468	1.1887	3.4661		4.4805	2.0328	3.6573
O5	2.2468	3.4661	1.1887	4.4805		3.6573	2.0328
H6	2.0790	1.1015	2.4687	2.0328	3.6573		2.0631
H7	2.0790	2.4687	1.1015	3.6573	2.0328	2.0631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.691	O1	C2	H6	113.211
O1	C3	O5	121.691	C2	O1	C3	117.775
O4	C2	H6	125.097

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

using model chemistry: TPSSh/6-311G*

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	-0.228
2	C	0.212
3	C	0.212
4	O	-0.270
5	O	-0.270
6	H	0.172
7	H	0.172

	x	y	z	Total
	0.000	0.000	-3.262	3.262
CHELPG
AIM
ESP

<r²>	125.236
(<r²>)^1/2	11.191