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	hartrees
Energy at 0K
Energy at 298.15K	-0.191145
HF Energy	-0.191145
Nuclear repulsion energy	116.709513

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	2916	2840	0.00	142.46	0.33	0.49
2	A₁	2000	1948	46.59	40.30	0.11	0.20
3	A₁	1257	1225	64.44	13.95	0.68	0.81
4	A₁	1124	1095	11.81	1.44	0.15	0.26
5	A₁	558	544	3.06	10.45	0.43	0.60
6	A₁	258	251	14.73	2.40	0.72	0.83
7	A₂	938	914	0.00	14.11	0.75	0.86
8	A₂	133	129	0.00	1.66	0.75	0.86
9	B₁	935	911	0.11	0.92	0.75	0.86
10	B₁	124	121	0.03	0.01	0.75	0.86
11	B₂	2917	2841	0.49	26.19	0.75	0.86
12	B₂	1952	1901	571.99	19.17	0.75	0.86
13	B₂	1299	1265	690.80	0.33	0.75	0.86
14	B₂	1077	1049	18.49	35.45	0.75	0.86
15	B₂	567	552	64.36	0.26	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.285
C2	1.184	-0.410
C3	-1.184	-0.410
O4	2.113	0.353
O5	-2.113	0.353
H6	1.208	-1.510
H7	-1.208	-1.510

	O1	C2	C3	O4	O5	H6	H7
O1		1.3732	1.3732	2.1142	2.1142	2.1633	2.1633
C2	1.3732		2.3689	1.2020	3.3847	1.1000	2.6331
C3	1.3732	2.3689		3.3847	1.2020	2.6331	1.1000
O4	2.1142	1.2020	3.3847		4.2261	2.0712	3.8079
O5	2.1142	3.3847	1.2020	4.2261		3.8079	2.0712
H6	2.1633	1.1000	2.6331	2.0712	3.8079		2.4160
H7	2.1633	2.6331	1.1000	3.8079	2.0712	2.4160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	110.187	O1	C2	H6	121.623
O1	C3	O5	110.187	C2	O1	C3	119.205
O4	C2	H6	128.190

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

using model chemistry: PM3

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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