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	hartrees
Energy at 0K	-303.089994
Energy at 298.15K
HF Energy	-303.089994
Nuclear repulsion energy	160.464796

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	3024	3024	71.26	118.29	0.25	0.40
2	A₁	1947	1947	33.92	44.51	0.15	0.27
3	A₁	1453	1453	0.01	3.25	0.40	0.57
4	A₁	1169	1169	107.45	2.32	0.11	0.19
5	A₁	551	551	0.63	7.97	0.21	0.35
6	A₁	282	282	14.99	0.64	0.35	0.52
7	A₂	1036	1036	0.00	0.67	0.75	0.86
8	A₂	180	180	0.00	0.48	0.75	0.86
9	B₁	1045	1045	0.04	1.47	0.75	0.86
10	B₁	132	132	5.01	0.08	0.75	0.86
11	B₂	3004	3004	2.50	0.59	0.75	0.86
12	B₂	1865	1865	752.79	2.53	0.75	0.86
13	B₂	1398	1398	9.43	4.18	0.75	0.86
14	B₂	1115	1115	701.65	1.90	0.75	0.86
15	B₂	723	723	47.65	0.07	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.379
C2	1.172	-0.320
C3	-1.172	-0.320
O4	2.219	0.227
O5	-2.219	0.227
H6	1.035	-1.412
H7	-1.035	-1.412

	O1	C2	C3	O4	O5	H6	H7
O1		1.3647	1.3647	2.2240	2.2240	2.0680	2.0680
C2	1.3647		2.3446	1.1807	3.4349	1.1006	2.4624
C3	1.3647	2.3446		3.4349	1.1807	2.4624	1.1006
O4	2.2240	1.1807	3.4349		4.4376	2.0217	3.6429
O5	2.2240	3.4349	1.1807	4.4376		3.6429	2.0217
H6	2.0680	1.1006	2.4624	2.0217	3.6429		2.0694
H7	2.0680	2.4624	1.1006	3.6429	2.0217	2.0694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.624	O1	C2	H6	113.610
O1	C3	O5	121.624	C2	O1	C3	118.416
O4	C2	H6	124.766

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	-0.484
2	C	0.635
3	C	0.635
4	O	-0.544
5	O	-0.544
6	H	0.152
7	H	0.152

	x	y	z	Total
	0.000	0.000	-3.433	3.433
CHELPG
AIM
ESP

<r²>	123.646
(<r²>)^1/2	11.120