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	hartrees
Energy at 0K	-302.952602
Energy at 298.15K
HF Energy	-302.952602
Nuclear repulsion energy	159.898576

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	3087	2923	88.02	103.77	0.28	0.43
2	A₁	1995	1889	35.76	28.57	0.19	0.32
3	A₁	1486	1407	0.17	2.21	0.38	0.55
4	A₁	1192	1129	126.77	4.78	0.26	0.42
5	A₁	557	528	1.23	7.45	0.36	0.53
6	A₁	288	273	13.86	0.85	0.51	0.67
7	A₂	1046	991	0.00	2.04	0.75	0.86
8	A₂	180	171	0.00	0.49	0.75	0.86
9	B₁	1054	998	1.79	4.15	0.75	0.86
10	B₁	131	124	3.93	0.10	0.75	0.86
11	B₂	3065	2903	0.14	2.38	0.75	0.86
12	B₂	1915	1814	699.28	3.38	0.75	0.86
13	B₂	1427	1352	15.82	9.86	0.75	0.86
14	B₂	1166	1104	624.99	1.97	0.75	0.86
15	B₂	718	680	42.91	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.382
C2	1.174	-0.320
C3	-1.174	-0.320
O4	2.228	0.226
O5	-2.228	0.226
H6	1.032	-1.414
H7	-1.032	-1.414

	O1	C2	C3	O4	O5	H6	H7
O1		1.3680	1.3680	2.2331	2.2331	2.0712	2.0712
C2	1.3680		2.3479	1.1871	3.4453	1.1024	2.4623
C3	1.3680	2.3479		3.4453	1.1871	2.4623	1.1024
O4	2.2331	1.1871	3.4453		4.4553	2.0294	3.6493
O5	2.2331	3.4453	1.1871	4.4553		3.6493	2.0294
H6	2.0712	1.1024	2.4623	2.0294	3.6493		2.0646
H7	2.0712	2.4623	1.1024	3.6493	2.0294	2.0646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.691	O1	C2	H6	113.507
O1	C3	O5	121.691	C2	O1	C3	118.223
O4	C2	H6	124.802

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

using model chemistry: M06-2X/6-31G*

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	-0.410
2	C	0.427
3	C	0.427
4	O	-0.376
5	O	-0.376
6	H	0.154
7	H	0.154

	x	y	z	Total
	0.000	0.000	-3.338	3.338
CHELPG
AIM
ESP

<r²>	124.000
(<r²>)^1/2	11.136