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	hartrees
Energy at 0K	-303.044010
Energy at 298.15K
HF Energy	-303.044010
Nuclear repulsion energy	160.320941

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	3056	3056	77.43	110.23	0.26	0.41
2	A₁	1978	1978	35.87	28.58	0.19	0.32
3	A₁	1475	1475	0.62	2.36	0.42	0.59
4	A₁	1181	1181	129.98	4.01	0.32	0.48
5	A₁	554	554	0.83	7.43	0.35	0.52
6	A₁	288	288	14.34	0.83	0.47	0.64
7	A₂	1050	1050	0.00	1.80	0.75	0.86
8	A₂	178	178	0.00	0.49	0.75	0.86
9	B₁	1057	1057	1.09	2.10	0.75	0.86
10	B₁	127	127	4.17	0.14	0.75	0.86
11	B₂	3033	3033	0.66	1.90	0.75	0.86
12	B₂	1899	1899	736.55	3.73	0.75	0.86
13	B₂	1415	1415	12.16	7.33	0.75	0.86
14	B₂	1140	1140	660.54	1.58	0.75	0.86
15	B₂	722	722	50.83	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.384
C2	1.174	-0.319
C3	-1.174	-0.319
O4	2.222	0.224
O5	-2.222	0.224
H6	1.030	-1.411
H7	-1.030	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3678	1.3678	2.2274	2.2274	2.0687	2.0687
C2	1.3678		2.3472	1.1802	3.4383	1.1009	2.4591
C3	1.3678	2.3472		3.4383	1.1802	2.4591	1.1009
O4	2.2274	1.1802	3.4383		4.4432	2.0226	3.6392
O5	2.2274	3.4383	1.1802	4.4432		3.6392	2.0226
H6	2.0687	1.1009	2.4591	2.0226	3.6392		2.0599
H7	2.0687	2.4591	1.1009	3.6392	2.0226	2.0599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.716	O1	C2	H6	113.408
O1	C3	O5	121.716	C2	O1	C3	118.191
O4	C2	H6	124.875

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

using model chemistry: M06-2X/6-311G**

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	-0.255
2	C	0.314
3	C	0.314
4	O	-0.286
5	O	-0.286
6	H	0.100
7	H	0.100

	x	y	z	Total
	0.000	0.000	-3.481	3.481
CHELPG
AIM
ESP

<r²>	123.670
(<r²>)^1/2	11.121