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	hartrees
Energy at 0K	-302.146887
Energy at 298.15K	-302.150140
HF Energy	-301.478753
Nuclear repulsion energy	164.029698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3829	3545	122.16
2	A'	3201	2963	29.43
3	A'	2005	1856	183.56
4	A'	1925	1783	157.61
5	A'	1492	1382	379.47
6	A'	1426	1320	22.71
7	A'	1304	1208	22.82
8	A'	949	878	52.36
9	A'	718	665	21.13
10	A'	535	495	6.94
11	A'	308	285	36.13
12	A"	1059	980	3.85
13	A"	690	639	89.86
14	A"	599	555	67.31
15	A"	176	163	30.93

Atom	x (Å)	y (Å)
C1	-0.745	-0.752
C2	0.000	0.578
O3	-0.139	-1.791
O4	-0.585	1.619
O5	1.321	0.449
H6	-1.836	-0.682
H7	1.537	-0.496

	C1	C2	O3	O4	O5	H6	H7
C1		1.5240	1.2023	2.3765	2.3891	1.0932	2.2958
C2	1.5240		2.3724	1.1947	1.3269	2.2263	1.8744
O3	1.2023	2.3724		3.4389	2.6734	2.0267	2.1180
O4	2.3765	1.1947	3.4389		2.2365	2.6189	2.9958
O5	2.3891	1.3269	2.6734	2.2365		3.3528	0.9688
H6	1.0932	2.2263	2.0267	2.6189	3.3528		3.3775
H7	2.2958	1.8744	2.1180	2.9958	0.9688	3.3775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.417	C1	C2	O5	113.684
C2	C1	O3	120.506	C2	C1	H6	115.576
C2	O5	H7	108.453	O3	C1	H6	123.917
O4	C2	O5	124.899

All results from a given calculation for CHOCOOH (oxo acetic acid)

using model chemistry: CISD/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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