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	hartrees
Energy at 0K	-302.325430
Energy at 298.15K
HF Energy	-301.502971
Nuclear repulsion energy	158.869750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3063	2939	96.19
2	A₁	1930	1851	27.16
3	A₁	1460	1401	0.25
4	A₁	1174	1126	115.33
5	A₁	546	523	0.71
6	A₁	287	275	12.87
7	A₂	1035	993	0.00
8	A₂	175	168	0.00
9	B₁	1040	997	1.57
10	B₁	123	118	3.98
11	B₂	3037	2914	0.02
12	B₂	1853	1777	647.15
13	B₂	1412	1354	18.10
14	B₂	1115	1070	604.99
15	B₂	711	682	37.79

Atom	y (Å)	z (Å)
O1	0.000	0.403
C2	1.175	-0.320
C3	-1.175	-0.320
O4	2.243	0.216
O5	-2.243	0.216
H6	1.012	-1.421
H7	-1.012	-1.421

	O1	C2	C3	O4	O5	H6	H7
O1		1.3793	1.3793	2.2507	2.2507	2.0858	2.0858
C2	1.3793		2.3494	1.1947	3.4592	1.1129	2.4482
C3	1.3793	2.3494		3.4592	1.1947	2.4482	1.1129
O4	2.2507	1.1947	3.4592		4.4858	2.0474	3.6430
O5	2.2507	3.4592	1.1947	4.4858		3.6430	2.0474
H6	2.0858	1.1129	2.4482	2.0474	3.6430		2.0240
H7	2.0858	2.4482	1.1129	3.6430	2.0474	2.0240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.780	O1	C2	H6	113.202
O1	C3	O5	121.780	C2	O1	C3	116.786
O4	C2	H6	125.018

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

using model chemistry: QCISD/cc-pVDZ

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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