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	hartrees
Energy at 0K	-302.378184
Energy at 298.15K
HF Energy	-301.527077
Nuclear repulsion energy	158.904524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	3079	60.59
2	A₁	1920	1920	23.15
3	A₁	1459	1459	0.02
4	A₁	1165	1165	101.38
5	A₁	546	546	0.58
6	A₁	287	287	14.50
7	A₂	1021	1021	0.00
8	A₂	174	174	0.00
9	B₁	1032	1032	0.00
10	B₁	126	126	4.85
11	B₂	3056	3056	1.27
12	B₂	1844	1844	701.95
13	B₂	1403	1403	16.01
14	B₂	1108	1108	682.63
15	B₂	710	710	45.16

Atom	y (Å)	z (Å)
O1	0.000	0.398
C2	1.177	-0.322
C3	-1.177	-0.322
O4	2.241	0.220
O5	-2.241	0.220
H6	1.030	-1.420
H7	-1.030	-1.420

	O1	C2	C3	O4	O5	H6	H7
O1		1.3798	1.3798	2.2479	2.2479	2.0889	2.0889
C2	1.3798		2.3540	1.1943	3.4607	1.1072	2.4644
C3	1.3798	2.3540		3.4607	1.1943	2.4644	1.1072
O4	2.2479	1.1943	3.4607		4.4818	2.0388	3.6587
O5	2.2479	3.4607	1.1943	4.4818		3.6587	2.0388
H6	2.0889	1.1072	2.4644	2.0388	3.6587		2.0593
H7	2.0889	2.4644	1.1072	3.6587	2.0388	2.0593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.516	O1	C2	H6	113.812
O1	C3	O5	121.516	C2	O1	C3	117.080
O4	C2	H6	124.672

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

using model chemistry: CCD/daug-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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