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	hartrees
Energy at 0K	-302.955054
Energy at 298.15K
HF Energy	-302.955054
Nuclear repulsion energy	159.901771

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	3069	2917	85.76	107.85	0.27	0.43
2	A₁	1993	1895	36.49	28.41	0.19	0.32
3	A₁	1479	1405	0.16	2.37	0.37	0.54
4	A₁	1192	1133	127.35	4.74	0.26	0.41
5	A₁	557	529	1.25	7.42	0.36	0.53
6	A₁	287	273	13.89	0.86	0.50	0.67
7	A₂	1047	995	0.00	1.98	0.75	0.86
8	A₂	180	171	0.00	0.48	0.75	0.86
9	B₁	1055	1002	1.37	4.12	0.75	0.86
10	B₁	131	125	3.93	0.11	0.75	0.86
11	B₂	3047	2896	0.09	2.51	0.75	0.86
12	B₂	1914	1819	692.97	3.52	0.75	0.86
13	B₂	1421	1350	14.31	9.73	0.75	0.86
14	B₂	1165	1107	625.20	1.98	0.75	0.86
15	B₂	717	682	43.10	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.382
C2	1.174	-0.321
C3	-1.174	-0.321
O4	2.227	0.227
O5	-2.227	0.227
H6	1.032	-1.415
H7	-1.032	-1.415

	O1	C2	C3	O4	O5	H6	H7
O1		1.3681	1.3681	2.2325	2.2325	2.0716	2.0716
C2	1.3681		2.3475	1.1872	3.4447	1.1027	2.4617
C3	1.3681	2.3475		3.4447	1.1872	2.4617	1.1027
O4	2.2325	1.1872	3.4447		4.4542	2.0303	3.6488
O5	2.2325	3.4447	1.1872	4.4542		3.6488	2.0303
H6	2.0716	1.1027	2.4617	2.0303	3.6488		2.0635
H7	2.0716	2.4617	1.1027	3.6488	2.0303	2.0635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.613	O1	C2	H6	113.516
O1	C3	O5	121.613	C2	O1	C3	118.171
O4	C2	H6	124.871

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	-0.420
2	C	0.480
3	C	0.480
4	O	-0.386
5	O	-0.386
6	H	0.117
7	H	0.117

	x	y	z	Total
	0.000	0.000	-3.354	3.354
CHELPG
AIM
ESP

<r²>	123.953
(<r²>)^1/2	11.133