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	hartrees
Energy at 0K	-300.256174
Energy at 298.15K
HF Energy	-299.780869
Nuclear repulsion energy	157.552157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	2915	89.90
2	A₁	1932	1800	23.04
3	A₁	1564	1457	0.08
4	A₁	1136	1059	122.30
5	A₁	555	517	2.03
6	A₁	270	251	10.96
7	A₂	1113	1037	0.00
8	A₂	166	155	0.00
9	B₁	1112	1035	2.83
10	B₁	120	112	1.72
11	B₂	3108	2895	3.43
12	B₂	1841	1715	543.27
13	B₂	1519	1415	7.82
14	B₂	1149	1070	589.46
15	B₂	729	679	44.25

Atom	y (Å)	z (Å)
O1	0.000	0.383
C2	1.199	-0.324
C3	-1.199	-0.324
O4	2.268	0.228
O5	-2.268	0.228
H6	1.052	-1.406
H7	-1.052	-1.406

	O1	C2	C3	O4	O5	H6	H7
O1		1.3924	1.3924	2.2729	2.2729	2.0757	2.0757
C2	1.3924		2.3989	1.2023	3.5107	1.0920	2.4982
C3	1.3924	2.3989		3.5107	1.2023	2.4982	1.0920
O4	2.2729	1.2023	3.5107		4.5351	2.0364	3.7002
O5	2.2729	3.5107	1.2023	4.5351		3.7002	2.0364
H6	2.0757	1.0920	2.4982	2.0364	3.7002		2.1045
H7	2.0757	2.4982	1.0920	3.7002	2.0364	2.1045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.149	O1	C2	H6	112.776
O1	C3	O5	122.149	C2	O1	C3	118.957
O4	C2	H6	125.075

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

using model chemistry: CID/3-21G

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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