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	hartrees
Energy at 0K	-302.762318
Energy at 298.15K
HF Energy	-302.762318
Nuclear repulsion energy	159.665841

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	3058	2921	77.76	127.39	0.30	0.47
2	A₁	1947	1860	29.50	46.35	0.19	0.31
3	A₁	1451	1386	0.10	3.29	0.39	0.56
4	A₁	1167	1115	114.03	3.31	0.15	0.26
5	A₁	545	521	0.51	8.63	0.28	0.44
6	A₁	277	265	15.48	0.89	0.40	0.57
7	A₂	1028	982	0.00	1.23	0.75	0.86
8	A₂	177	169	0.00	0.83	0.75	0.86
9	B₁	1037	991	0.02	3.11	0.75	0.86
10	B₁	134	128	4.49	0.13	0.75	0.86
11	B₂	3039	2903	1.41	0.86	0.75	0.86
12	B₂	1868	1784	756.37	2.99	0.75	0.86
13	B₂	1398	1335	11.21	6.43	0.75	0.86
14	B₂	1125	1075	684.59	2.26	0.75	0.86
15	B₂	711	679	44.06	0.02	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.382
C2	1.174	-0.322
C3	-1.174	-0.322
O4	2.230	0.228
O5	-2.230	0.228
H6	1.035	-1.416
H7	-1.035	-1.416

	O1	C2	C3	O4	O5	H6	H7
O1		1.3688	1.3688	2.2358	2.2358	2.0742	2.0742
C2	1.3688		2.3485	1.1906	3.4488	1.1030	2.4652
C3	1.3688	2.3485		3.4488	1.1906	2.4652	1.1030
O4	2.2358	1.1906	3.4488		4.4609	2.0325	3.6556
O5	2.2358	3.4488	1.1906	4.4609		3.6556	2.0325
H6	2.0742	1.1030	2.4652	2.0325	3.6556		2.0697
H7	2.0742	2.4652	1.1030	3.6556	2.0325	2.0697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.594	O1	C2	H6	113.661
O1	C3	O5	121.594	C2	O1	C3	118.156
O4	C2	H6	124.745

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

using model chemistry: PBE1PBE/6-31+G**

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	-0.284
2	C	0.383
3	C	0.383
4	O	-0.386
5	O	-0.386
6	H	0.145
7	H	0.145

	x	y	z	Total
	0.000	0.000	-3.548	3.548
CHELPG
AIM
ESP

<r²>	124.764
(<r²>)^1/2	11.170