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	hartrees
Energy at 0K	-303.091469
Energy at 298.15K
HF Energy	-303.091469
Nuclear repulsion energy	160.361213

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	3028	2895	82.37	122.93	0.25	0.40
2	A₁	1949	1863	34.18	29.03	0.20	0.33
3	A₁	1456	1392	0.02	3.31	0.31	0.48
4	A₁	1170	1118	112.86	2.61	0.21	0.35
5	A₁	551	527	0.62	7.95	0.27	0.43
6	A₁	282	269	14.41	0.71	0.44	0.61
7	A₂	1037	992	0.00	1.20	0.75	0.86
8	A₂	181	173	0.00	0.40	0.75	0.86
9	B₁	1046	1000	0.14	1.64	0.75	0.86
10	B₁	131	126	4.87	0.10	0.75	0.86
11	B₂	3008	2876	1.40	1.54	0.75	0.86
12	B₂	1868	1786	707.28	3.15	0.75	0.86
13	B₂	1399	1338	8.54	5.31	0.75	0.86
14	B₂	1116	1067	672.51	1.85	0.75	0.86
15	B₂	723	691	44.80	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.381
C2	1.173	-0.320
C3	-1.173	-0.320
O4	2.221	0.226
O5	-2.221	0.226
H6	1.032	-1.411
H7	-1.032	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3660	1.3660	2.2262	2.2262	2.0676	2.0676
C2	1.3660		2.3452	1.1815	3.4368	1.1001	2.4597
C3	1.3660	2.3452		3.4368	1.1815	2.4597	1.1001
O4	2.2262	1.1815	3.4368		4.4414	2.0226	3.6410
O5	2.2262	3.4368	1.1815	4.4414		3.6410	2.0226
H6	2.0676	1.1001	2.4597	2.0226	3.6410		2.0637
H7	2.0676	2.4597	1.1001	3.6410	2.0226	2.0637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.654	O1	C2	H6	113.511
O1	C3	O5	121.654	C2	O1	C3	118.278
O4	C2	H6	124.834

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.109
2	C	0.235
3	C	0.235
4	O	-0.228
5	O	-0.228
6	H	0.047
7	H	0.047

	x	y	z	Total
	0.000	0.000	-3.322	3.322
CHELPG
AIM
ESP

<r²>	123.547
(<r²>)^1/2	11.115