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	hartrees
Energy at 0K	-302.827651
Energy at 298.15K
HF Energy	-302.827651
Nuclear repulsion energy	157.391192

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	3118	3118	66.66	119.19	0.27	0.43
2	A₁	1888	1888	28.57	26.23	0.18	0.30
3	A₁	1482	1482	0.02	2.38	0.33	0.49
4	A₁	1116	1116	116.60	6.91	0.29	0.45
5	A₁	539	539	1.58	9.97	0.40	0.58
6	A₁	262	262	13.84	1.03	0.61	0.76
7	A₂	1043	1043	0.00	3.13	0.75	0.86
8	A₂	164	164	0.00	1.03	0.75	0.86
9	B₁	1053	1053	0.28	3.26	0.75	0.86
10	B₁	131	131	1.68	0.09	0.75	0.86
11	B₂	3104	3104	0.85	4.69	0.75	0.86
12	B₂	1806	1806	634.25	3.33	0.75	0.86
13	B₂	1435	1435	4.51	13.44	0.75	0.86
14	B₂	1135	1135	634.78	1.68	0.75	0.86
15	B₂	696	696	46.85	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.364
C2	1.203	-0.331
C3	-1.203	-0.331
O4	2.265	0.244
O5	-2.265	0.244
H6	1.085	-1.420
H7	-1.085	-1.420

	O1	C2	C3	O4	O5	H6	H7
O1		1.3890	1.3890	2.2679	2.2679	2.0876	2.0876
C2	1.3890		2.4062	1.2070	3.5151	1.0957	2.5341
C3	1.3890	2.4062		3.5151	1.2070	2.5341	1.0957
O4	2.2679	1.2070	3.5151		4.5294	2.0395	3.7400
O5	2.2679	3.5151	1.2070	4.5294		3.7400	2.0395
H6	2.0876	1.0957	2.5341	2.0395	3.7400		2.1699
H7	2.0876	2.5341	1.0957	3.7400	2.0395	2.1699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.597	O1	C2	H6	113.794
O1	C3	O5	121.597	C2	O1	C3	120.028
O4	C2	H6	124.609

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	-0.480
2	C	0.412
3	C	0.412
4	O	-0.341
5	O	-0.341
6	H	0.169
7	H	0.169

	x	y	z	Total
	0.000	0.000	-4.107	4.107
CHELPG
AIM
ESP

<r²>	128.476
(<r²>)^1/2	11.335