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	hartrees
Energy at 0K	-302.849701
Energy at 298.15K
HF Energy	-302.849701
Nuclear repulsion energy	157.209974

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	3100	2956	82.87	121.56	0.28	0.44
2	A₁	1862	1776	24.67	25.88	0.17	0.29
3	A₁	1472	1404	0.27	2.57	0.31	0.47
4	A₁	1090	1040	109.21	7.06	0.24	0.39
5	A₁	527	502	1.03	11.37	0.41	0.58
6	A₁	255	243	13.52	0.87	0.55	0.71
7	A₂	1028	981	0.00	2.59	0.75	0.86
8	A₂	166	159	0.00	0.87	0.75	0.86
9	B₁	1039	990	0.02	2.91	0.75	0.86
10	B₁	133	126	2.03	0.08	0.75	0.86
11	B₂	3087	2944	0.91	4.78	0.75	0.86
12	B₂	1779	1696	602.50	2.79	0.75	0.86
13	B₂	1424	1359	2.84	13.03	0.75	0.86
14	B₂	1086	1036	630.93	1.92	0.75	0.86
15	B₂	688	656	44.53	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.369
C2	1.204	-0.330
C3	-1.204	-0.330
O4	2.268	0.241
O5	-2.268	0.241
H6	1.077	-1.418
H7	-1.077	-1.418

	O1	C2	C3	O4	O5	H6	H7
O1		1.3920	1.3920	2.2718	2.2718	2.0865	2.0865
C2	1.3920		2.4076	1.2080	3.5186	1.0951	2.5272
C3	1.3920	2.4076		3.5186	1.2080	2.5272	1.0951
O4	2.2718	1.2080	3.5186		4.5364	2.0420	3.7343
O5	2.2718	3.5186	1.2080	4.5364		3.7343	2.0420
H6	2.0865	1.0951	2.5272	2.0420	3.7343		2.1548
H7	2.0865	2.5272	1.0951	3.7343	2.0420	2.1548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.638	O1	C2	H6	113.516
O1	C3	O5	121.638	C2	O1	C3	119.711
O4	C2	H6	124.846

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

using model chemistry: B1B95/6-31G

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	-0.454
2	C	0.396
3	C	0.396
4	O	-0.335
5	O	-0.335
6	H	0.166
7	H	0.166

	x	y	z	Total
	0.000	0.000	-3.944	3.944
CHELPG
AIM
ESP

<r²>	128.550
(<r²>)^1/2	11.338