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	hartrees
Energy at 0K	-302.966509
Energy at 298.15K
HF Energy	-302.966509
Nuclear repulsion energy	159.809028

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	3080	2933	72.69	127.62	0.29	0.45
2	A₁	1973	1879	34.67	45.86	0.18	0.31
3	A₁	1467	1396	0.02	2.92	0.42	0.59
4	A₁	1182	1126	123.71	3.61	0.20	0.33
5	A₁	553	527	0.84	7.55	0.28	0.44
6	A₁	284	271	15.50	0.98	0.47	0.64
7	A₂	1038	989	0.00	1.51	0.75	0.86
8	A₂	177	169	0.00	0.89	0.75	0.86
9	B₁	1047	997	0.21	3.56	0.75	0.86
10	B₁	133	127	4.06	0.14	0.75	0.86
11	B₂	3059	2912	1.00	1.30	0.75	0.86
12	B₂	1893	1802	792.39	3.51	0.75	0.86
13	B₂	1409	1341	16.07	7.52	0.75	0.86
14	B₂	1155	1100	709.32	1.96	0.75	0.86
15	B₂	714	680	48.96	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.379
C2	1.175	-0.322
C3	-1.175	-0.322
O4	2.228	0.229
O5	-2.228	0.229
H6	1.040	-1.416
H7	-1.040	-1.416

	O1	C2	C3	O4	O5	H6	H7
O1		1.3686	1.3686	2.2327	2.2327	2.0744	2.0744
C2	1.3686		2.3501	1.1883	3.4471	1.1018	2.4699
C3	1.3686	2.3501		3.4471	1.1883	2.4699	1.1018
O4	2.2327	1.1883	3.4471		4.4553	2.0292	3.6580
O5	2.2327	3.4471	1.1883	4.4553		3.6580	2.0292
H6	2.0744	1.1018	2.4699	2.0292	3.6580		2.0793
H7	2.0744	2.4699	1.1018	3.6580	2.0292	2.0793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.505	O1	C2	H6	113.780
O1	C3	O5	121.505	C2	O1	C3	118.319
O4	C2	H6	124.714

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

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

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	-0.325
2	C	0.408
3	C	0.408
4	O	-0.387
5	O	-0.387
6	H	0.141
7	H	0.141

	x	y	z	Total
	0.000	0.000	-3.663	3.663
CHELPG
AIM
ESP

<r²>	124.628
(<r²>)^1/2	11.164