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	hartrees
Energy at 0K	-303.077509
Energy at 298.15K
HF Energy	-303.077509
Nuclear repulsion energy	156.890331

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	2930	2930	80.31	145.16	0.28	0.43
2	A₁	1804	1804	24.80	54.52	0.15	0.26
3	A₁	1367	1367	0.32	3.53	0.45	0.62
4	A₁	1057	1057	85.76	2.30	0.09	0.17
5	A₁	498	498	0.06	12.79	0.22	0.35
6	A₁	260	260	12.36	0.73	0.17	0.29
7	A₂	958	958	0.00	0.20	0.75	0.86
8	A₂	185	185	0.00	0.38	0.75	0.86
9	B₁	964	964	0.52	2.17	0.75	0.86
10	B₁	130	130	4.41	0.06	0.75	0.86
11	B₂	2909	2909	1.91	0.57	0.75	0.86
12	B₂	1728	1728	635.18	2.16	0.75	0.86
13	B₂	1321	1321	5.15	4.36	0.75	0.86
14	B₂	942	942	643.52	3.51	0.75	0.86
15	B₂	669	669	47.51	0.32	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.396
C2	1.201	-0.330
C3	-1.201	-0.330
O4	2.268	0.229
O5	-2.268	0.229
H6	1.051	-1.433
H7	-1.051	-1.433

	O1	C2	C3	O4	O5	H6	H7
O1		1.4038	1.4038	2.2746	2.2746	2.1093	2.1093
C2	1.4038		2.4028	1.2044	3.5145	1.1127	2.5080
C3	1.4038	2.4028		3.5145	1.2044	2.5080	1.1127
O4	2.2746	1.2044	3.5145		4.5368	2.0594	3.7121
O5	2.2746	3.5145	1.2044	4.5368		3.7121	2.0594
H6	2.1093	1.1127	2.5080	2.0594	3.7121		2.1024
H7	2.1093	2.5080	1.1127	3.7121	2.0594	2.1024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.213	O1	C2	H6	113.392
O1	C3	O5	121.213	C2	O1	C3	117.702
O4	C2	H6	125.395

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

using model chemistry: BLYP/daug-cc-pVDZ

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	-0.149
2	C	1.161
3	C	1.161
4	O	-0.485
5	O	-0.485
6	H	-0.601
7	H	-0.601

	x	y	z	Total
	0.000	0.000	-3.273	3.273
CHELPG
AIM
ESP

<r²>	128.750
(<r²>)^1/2	11.347