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	hartrees
Energy at 0K	-303.076217
Energy at 298.15K
HF Energy	-303.076217
Nuclear repulsion energy	159.952982

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	3008	3008	74.63	125.71	0.25	0.39
2	A₁	1917	1917	30.58	49.46	0.15	0.26
3	A₁	1434	1434	0.01	3.51	0.41	0.59
4	A₁	1149	1149	102.42	2.11	0.11	0.20
5	A₁	541	541	0.50	8.92	0.21	0.35
6	A₁	276	276	14.15	0.62	0.25	0.39
7	A₂	1016	1016	0.00	0.40	0.75	0.86
8	A₂	180	180	0.00	0.40	0.75	0.86
9	B₁	1028	1028	0.01	1.51	0.75	0.86
10	B₁	132	132	5.20	0.07	0.75	0.86
11	B₂	2988	2988	2.58	0.37	0.75	0.86
12	B₂	1836	1836	708.38	2.29	0.75	0.86
13	B₂	1379	1379	6.69	3.81	0.75	0.86
14	B₂	1080	1080	668.08	2.28	0.75	0.86
15	B₂	713	713	45.00	0.12	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.386
C2	1.175	-0.320
C3	-1.175	-0.320
O4	2.227	0.223
O5	-2.227	0.223
H6	1.028	-1.412
H7	-1.028	-1.412

	O1	C2	C3	O4	O5	H6	H7
O1		1.3704	1.3704	2.2330	2.2330	2.0708	2.0708
C2	1.3704		2.3492	1.1844	3.4447	1.1014	2.4583
C3	1.3704	2.3492		3.4447	1.1844	2.4583	1.1014
O4	2.2330	1.1844	3.4447		4.4540	2.0274	3.6425
O5	2.2330	3.4447	1.1844	4.4540		3.6425	2.0274
H6	2.0708	1.1014	2.4583	2.0274	3.6425		2.0560
H7	2.0708	2.4583	1.1014	3.6425	2.0274	2.0560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.691	O1	C2	H6	113.360
O1	C3	O5	121.691	C2	O1	C3	117.986
O4	C2	H6	124.949

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

using model chemistry: B3PW91/daug-cc-pVTZ

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	-0.285
2	C	0.358
3	C	0.358
4	O	-1.229
5	O	-1.229
6	H	1.014
7	H	1.014

	x	y	z	Total
	0.000	0.000	-3.284	3.284
CHELPG
AIM
ESP

<r²>	124.258
(<r²>)^1/2	11.147