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	hartrees
Energy at 0K	-303.072269
Energy at 298.15K
HF Energy	-303.072269
Nuclear repulsion energy	158.952176

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	3037	2916	100.09	108.07	0.29	0.45
2	A₁	1933	1856	30.86	27.10	0.19	0.32
3	A₁	1470	1412	0.01	2.55	0.34	0.51
4	A₁	1144	1099	113.88	4.73	0.22	0.36
5	A₁	538	516	0.62	9.13	0.36	0.53
6	A₁	278	267	12.93	0.74	0.44	0.61
7	A₂	1026	985	0.00	1.75	0.75	0.86
8	A₂	174	167	0.00	0.36	0.75	0.86
9	B₁	1033	992	1.14	3.77	0.75	0.86
10	B₁	131	126	3.99	0.09	0.75	0.86
11	B₂	3015	2895	0.03	2.52	0.75	0.86
12	B₂	1855	1781	628.07	2.90	0.75	0.86
13	B₂	1416	1359	9.31	9.74	0.75	0.86
14	B₂	1092	1049	596.84	2.35	0.75	0.86
15	B₂	707	679	40.55	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.382
C2	1.184	-0.323
C3	-1.184	-0.323
O4	2.242	0.228
O5	-2.242	0.228
H6	1.041	-1.417
H7	-1.041	-1.417

	O1	C2	C3	O4	O5	H6	H7
O1		1.3778	1.3778	2.2472	2.2472	2.0785	2.0785
C2	1.3778		2.3673	1.1929	3.4695	1.1034	2.4787
C3	1.3778	2.3673		3.4695	1.1929	2.4787	1.1034
O4	2.2472	1.1929	3.4695		4.4837	2.0367	3.6714
O5	2.2472	3.4695	1.1929	4.4837		3.6714	2.0367
H6	2.0785	1.1034	2.4787	2.0367	3.6714		2.0811
H7	2.0785	2.4787	1.1034	3.6714	2.0367	2.0811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.725	O1	C2	H6	113.332
O1	C3	O5	121.725	C2	O1	C3	118.431
O4	C2	H6	124.942

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

using model chemistry: B3LYP/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	-0.366
2	C	0.406
3	C	0.406
4	O	-0.360
5	O	-0.360
6	H	0.138
7	H	0.138

	x	y	z	Total
	0.000	0.000	-3.198	3.198
CHELPG
AIM
ESP

<r²>	125.321
(<r²>)^1/2	11.195