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	hartrees
Energy at 0K	-303.537136
Energy at 298.15K	-303.542715
HF Energy	-302.687691
Nuclear repulsion energy	179.466281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3798	3643	61.94
2	A'	3792	3638	84.47
3	A'	3050	2926	32.13
4	A'	1860	1784	262.54
5	A'	1516	1455	6.81
6	A'	1507	1445	6.19
7	A'	1396	1339	137.85
8	A'	1318	1265	22.29
9	A'	1217	1168	150.67
10	A'	1152	1105	189.26
11	A'	882	847	30.91
12	A'	659	632	21.49
13	A'	478	459	25.30
14	A'	284	272	8.61
15	A"	3085	2960	29.02
16	A"	1257	1206	0.12
17	A"	1055	1012	0.85
18	A"	663	636	127.92
19	A"	513	492	7.65
20	A"	299	286	65.58
21	A"	60	58	15.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.600	-0.871	0.000
C2	0.000	0.524	0.000
O3	-0.938	1.490	0.000
O4	1.195	0.735	0.000
O5	0.408	-1.849	0.000
H6	-1.253	-0.959	0.891
H7	-1.253	-0.959	-0.891
H8	1.239	-1.349	0.000
H9	-0.452	2.332	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5193	2.3858	2.4090	1.4041	1.1080	1.1080	1.9004	3.2071
C2	1.5193		1.3466	1.2134	2.4078	2.1365	2.1365	2.2459	1.8635
O3	2.3858	1.3466		2.2628	3.6002	2.6253	2.6253	3.5779	0.9723
O4	2.4090	1.2134	2.2628		2.7009	3.1077	3.1077	2.0843	2.2940
O5	1.4041	2.4078	3.6002	2.7009		2.0845	2.0845	0.9700	4.2684
H6	1.1080	2.1365	2.6253	3.1077	2.0845		1.7816	2.6755	3.5027
H7	1.1080	2.1365	2.6253	3.1077	2.0845	1.7816		2.6755	3.5027
H8	1.9004	2.2459	3.5779	2.0843	0.9700	2.6755	2.6755		4.0508
H9	3.2071	1.8635	0.9723	2.2940	4.2684	3.5027	3.5027	4.0508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.574	C1	C2	O4	123.274
C1	O5	H8	104.870	C2	C1	O5	110.837
C2	C1	H6	107.789	C2	C1	H7	107.789
C2	O3	H9	105.827	O3	C2	O4	124.152
O5	C1	H6	111.603	O5	C1	H7	111.603
H6	C1	H7	107.017

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)

using model chemistry: QCISD/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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All results from a given calculation for HOCH2COOH (Hydroxyacetic acid)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)