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	hartrees
Energy at 0K	-298.570040
Energy at 298.15K
HF Energy	-298.458155
Nuclear repulsion energy	153.359988

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	3222	3222	31.24	54.25	0.44	0.61
2	A₁	1888	1888	0.81	6.20	0.09	0.17
3	A₁	1486	1486	0.12	5.58	0.46	0.63
4	A₁	1121	1121	49.36	5.00	0.23	0.38
5	A₁	537	537	1.48	10.71	0.35	0.52
6	A₁	285	285	7.84	0.47	0.48	0.65
7	A₂	937	937	0.00	0.48	0.75	0.86
8	A₂	216	216	0.00	0.23	0.75	0.86
9	B₁	930	930	0.49	1.07	0.75	0.86
10	B₁	117	117	2.04	0.09	0.75	0.86
11	B₂	3226	3226	13.21	2.08	0.75	0.86
12	B₂	1796	1796	281.94	0.20	0.75	0.86
13	B₂	1452	1452	28.09	12.86	0.75	0.86
14	B₂	1141	1141	350.02	2.22	0.75	0.86
15	B₂	647	647	8.79	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.464
C2	1.197	-0.335
C3	-1.197	-0.335
O4	2.322	0.200
O5	-2.322	0.200
H6	0.984	-1.440
H7	-0.984	-1.440

	O1	C2	C3	O4	O5	H6	H7
O1		1.4394	1.4394	2.3366	2.3366	2.1432	2.1432
C2	1.4394		2.3947	1.2451	3.5594	1.1252	2.4454
C3	1.4394	2.3947		3.5594	1.2451	2.4454	1.1252
O4	2.3366	1.2451	3.5594		4.6432	2.1160	3.6902
O5	2.3366	3.5594	1.2451	4.6432		3.6902	2.1160
H6	2.1432	1.1252	2.4454	2.1160	3.6902		1.9686
H7	2.1432	2.4454	1.1252	3.6902	2.1160	1.9686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	120.836	O1	C2	H6	112.802
O1	C3	O5	120.836	C2	O1	C3	112.567
O4	C2	H6	126.362

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

using model chemistry: B2PLYP/STO-3G

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	-0.164
2	C	0.176
3	C	0.176
4	O	-0.160
5	O	-0.160
6	H	0.066
7	H	0.066

	x	y	z	Total
	0.000	0.000	-2.252	2.252
CHELPG
AIM
ESP

<r²>	129.991
(<r²>)^1/2	11.401