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	hartrees
Energy at 0K	-302.974234
Energy at 298.15K
HF Energy	-302.974234
Nuclear repulsion energy	159.727422

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	3058	2901	97.82	108.89	0.28	0.43
2	A₁	1973	1871	33.92	25.74	0.19	0.32
3	A₁	1480	1403	0.02	2.32	0.30	0.46
4	A₁	1178	1117	122.91	4.48	0.21	0.35
5	A₁	551	523	0.91	8.07	0.36	0.53
6	A₁	282	268	14.49	0.77	0.50	0.67
7	A₂	1040	986	0.00	1.99	0.75	0.86
8	A₂	172	164	0.00	0.45	0.75	0.86
9	B₁	1048	994	1.36	3.73	0.75	0.86
10	B₁	131	124	4.13	0.09	0.75	0.86
11	B₂	3039	2883	0.09	2.43	0.75	0.86
12	B₂	1894	1796	674.25	2.98	0.75	0.86
13	B₂	1426	1353	12.72	9.43	0.75	0.86
14	B₂	1143	1084	621.69	1.96	0.75	0.86
15	B₂	717	680	40.59	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.379
C2	1.176	-0.322
C3	-1.176	-0.322
O4	2.230	0.229
O5	-2.230	0.229
H6	1.038	-1.416
H7	-1.038	-1.416

	O1	C2	C3	O4	O5	H6	H7
O1		1.3686	1.3686	2.2348	2.2348	2.0734	2.0734
C2	1.3686		2.3515	1.1890	3.4497	1.1028	2.4696
C3	1.3686	2.3515		3.4497	1.1890	2.4696	1.1028
O4	2.2348	1.1890	3.4497		4.4595	2.0308	3.6584
O5	2.2348	3.4497	1.1890	4.4595		3.6584	2.0308
H6	2.0734	1.1028	2.4696	2.0308	3.6584		2.0764
H7	2.0734	2.4696	1.1028	3.6584	2.0308	2.0764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.642	O1	C2	H6	113.621
O1	C3	O5	121.642	C2	O1	C3	118.426
O4	C2	H6	124.737

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

using model chemistry: wB97X-D/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	-0.384
2	C	0.410
3	C	0.410
4	O	-0.375
5	O	-0.375
6	H	0.157
7	H	0.157

	x	y	z	Total
	0.000	0.000	-3.349	3.349
CHELPG
AIM
ESP

<r²>	124.188
(<r²>)^1/2	11.144