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	hartrees
Energy at 0K	-302.660333
Energy at 298.15K
HF Energy	-301.609990
Nuclear repulsion energy	159.308747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3046	3046
2	A₁	1881	1881
3	A₁	1454	1454
4	A₁	1149	1149
5	A₁	531	531
6	A₁	272	272
7	A₂	1013	1013
8	A₂	176	176
9	B₁	1022	1022
10	B₁	124	124
11	B₂	3025	3025
12	B₂	1803	1803
13	B₂	1394	1394
14	B₂	1080	1080
15	B₂	709	709

Atom	y (Å)	z (Å)
O1	0.000	0.403
C2	1.173	-0.321
C3	-1.173	-0.321
O4	2.237	0.215
O5	-2.237	0.215
H6	1.015	-1.407
H7	-1.015	-1.407

	O1	C2	C3	O4	O5	H6	H7
O1		1.3781	1.3781	2.2449	2.2449	2.0752	2.0752
C2	1.3781		2.3459	1.1913	3.4518	1.0982	2.4428
C3	1.3781	2.3459		3.4518	1.1913	2.4428	1.0982
O4	2.2449	1.1913	3.4518		4.4740	2.0313	3.6340
O5	2.2449	3.4518	1.1913	4.4740		3.6340	2.0313
H6	2.0752	1.0982	2.4428	2.0313	3.6340		2.0295
H7	2.0752	2.4428	1.0982	3.6340	2.0313	2.0295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.616	O1	C2	H6	113.383
O1	C3	O5	121.616	C2	O1	C3	116.672
O4	C2	H6	125.001

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

using model chemistry: QCISD(T)/Def2TZVPP

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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