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	hartrees
Energy at 0K	-303.013900
Energy at 298.15K
HF Energy	-303.013900
Nuclear repulsion energy	159.834181

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	3071	3071	57.43	125.82	0.23	0.38
2	A₁	1954	1954	34.12	47.10	0.14	0.25
3	A₁	1447	1447	0.16	2.98	0.45	0.62
4	A₁	1179	1179	109.36	2.31	0.16	0.27
5	A₁	552	552	0.83	7.75	0.20	0.34
6	A₁	289	289	14.87	0.62	0.33	0.49
7	A₂	1031	1031	0.00	0.54	0.75	0.86
8	A₂	194	194	0.00	0.49	0.75	0.86
9	B₁	1039	1039	0.02	1.23	0.75	0.86
10	B₁	133	133	4.88	0.07	0.75	0.86
11	B₂	3049	3049	2.46	0.49	0.75	0.86
12	B₂	1873	1873	757.04	2.50	0.75	0.86
13	B₂	1387	1387	10.57	4.10	0.75	0.86
14	B₂	1131	1131	681.58	1.90	0.75	0.86
15	B₂	714	714	47.92	0.05	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.386
C2	1.173	-0.322
C3	-1.173	-0.322
O4	2.226	0.226
O5	-2.226	0.226
H6	1.032	-1.418
H7	-1.032	-1.418

	O1	C2	C3	O4	O5	H6	H7
O1		1.3706	1.3706	2.2318	2.2318	2.0781	2.0781
C2	1.3706		2.3470	1.1870	3.4436	1.1044	2.4627
C3	1.3706	2.3470		3.4436	1.1870	2.4627	1.1044
O4	2.2318	1.1870	3.4436		4.4522	2.0317	3.6495
O5	2.2318	3.4436	1.1870	4.4522		3.6495	2.0317
H6	2.0781	1.1044	2.4627	2.0317	3.6495		2.0644
H7	2.0781	2.4627	1.1044	3.6495	2.0317	2.0644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.364	O1	C2	H6	113.764
O1	C3	O5	121.364	C2	O1	C3	117.774
O4	C2	H6	124.871

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

using model chemistry: M06-2X/daug-cc-pVDZ

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	-0.239
2	C	1.117
3	C	1.117
4	O	-0.481
5	O	-0.481
6	H	-0.516
7	H	-0.516

	x	y	z	Total
	0.000	0.000	-3.473	3.473
CHELPG
AIM
ESP

<r²>	124.364
(<r²>)^1/2	11.152