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	hartrees
Energy at 0K	-60.290928
Energy at 298.15K
HF Energy	-60.290928
Nuclear repulsion energy	83.661460

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	3083	3083	142.13	143.16	0.32	0.48
2	A₁	1795	1795	16.79	41.14	0.14	0.25
3	A₁	1451	1451	0.22	2.92	0.33	0.50
4	A₁	1065	1065	115.07	5.81	0.28	0.44
5	A₁	511	511	0.55	11.83	0.37	0.54
6	A₁	247	247	17.55	0.76	0.57	0.73
7	A₂	994	994	0.00	1.78	0.75	0.86
8	A₂	137	137	0.00	1.21	0.75	0.86
9	B₁	1004	1004	2.47	0.34	0.75	0.86
10	B₁	123	123	2.77	0.10	0.75	0.86
11	B₂	3069	3069	0.27	4.69	0.75	0.86
12	B₂	1713	1713	661.52	3.84	0.75	0.86
13	B₂	1401	1401	8.25	12.74	0.75	0.86
14	B₂	1081	1081	728.21	2.81	0.75	0.86
15	B₂	670	670	49.35	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.376
C2	1.216	-0.337
C3	-1.216	-0.337
O4	2.291	0.245
O5	-2.291	0.245
H6	1.095	-1.436
H7	-1.095	-1.436

	O1	C2	C3	O4	O5	H6	H7
O1		1.4100	1.4100	2.2949	2.2949	2.1174	2.1174
C2	1.4100		2.4322	1.2224	3.5552	1.1054	2.5590
C3	1.4100	2.4322		3.5552	1.2224	2.5590	1.1054
O4	2.2949	1.2224	3.5552		4.5823	2.0628	3.7803
O5	2.2949	3.5552	1.2224	4.5823		3.7803	2.0628
H6	2.1174	1.1054	2.5590	2.0628	3.7803		2.1900
H7	2.1174	2.5590	1.1054	3.7803	2.0628	2.1900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.170	O1	C2	H6	114.113
O1	C3	O5	121.170	C2	O1	C3	119.195
O4	C2	H6	124.717

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

using model chemistry: wB97X-D/CEP-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	-0.080
2	C	-0.102
3	C	-0.102
4	O	-0.037
5	O	-0.037
6	H	0.179
7	H	0.179

	x	y	z	Total
	0.000	0.000	-4.658	4.658
CHELPG
AIM
ESP

<r²>	103.435
(<r²>)^1/2	10.170