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	hartrees
Energy at 0K	-303.463483
Energy at 298.15K
HF Energy	-302.652984
Nuclear repulsion energy	179.356225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3729	3522	57.72
2	A'	3714	3507	74.96
3	A'	3063	2893	22.49
4	A'	1882	1778	257.61
5	A'	1558	1471	5.42
6	A'	1533	1448	9.44
7	A'	1410	1331	147.93
8	A'	1340	1266	30.35
9	A'	1227	1158	167.04
10	A'	1150	1086	189.21
11	A'	891	842	34.48
12	A'	660	623	23.01
13	A'	481	454	27.70
14	A'	293	277	6.90
15	A"	3097	2925	21.78
16	A"	1271	1200	0.56
17	A"	1076	1016	0.93
18	A"	673	636	156.86
19	A"	515	486	6.18
20	A"	272	257	78.14
21	A"	47i	44i	30.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.600	-0.867	0.000
C2	0.000	0.523	0.000
O3	-0.941	1.487	0.000
O4	1.195	0.741	0.000
O5	0.408	-1.850	0.000
H6	-1.244	-0.964	0.886
H7	-1.244	-0.964	-0.886
H8	1.259	-1.374	0.000
H9	-0.467	2.342	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5133	2.3781	2.4093	1.4087	1.0997	1.0997	1.9269	3.2117
C2	1.5133		1.3471	1.2143	2.4080	2.1312	2.1312	2.2768	1.8787
O3	2.3781	1.3471		2.2617	3.5998	2.6235	2.6235	3.6092	0.9777
O4	2.4093	1.2143	2.2617		2.7083	3.1046	3.1046	2.1166	2.3075
O5	1.4087	2.4080	3.5998	2.7083		2.0741	2.0741	0.9748	4.2832
H6	1.0997	2.1312	2.6235	3.1046	2.0741		1.7718	2.6869	3.5097
H7	1.0997	2.1312	2.6235	3.1046	2.0741	1.7718		2.6869	3.5097
H8	1.9269	2.2768	3.6092	2.1166	0.9748	2.6869	2.6869		4.0980
H9	3.2117	1.8787	0.9777	2.3075	4.2832	3.5097	3.5097	4.0980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.356	C1	C2	O4	123.720
C1	O5	H8	106.465	C2	C1	O5	110.948
C2	C1	H6	108.258	C2	C1	H7	108.258
C2	O3	H9	106.741	O3	C2	O4	123.924
O5	C1	H6	110.955	O5	C1	H7	110.955
H6	C1	H7	107.332

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

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

using model chemistry: CCSD/6-31G*

States and conformations

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