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	hartrees
Energy at 0K	-303.598448
Energy at 298.15K	-303.604017
HF Energy	-302.713236
Nuclear repulsion energy	178.764953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3740	3625	78.52
2	A'	3732	3617	84.33
3	A'	3075	2980	27.49
4	A'	1788	1733	252.14
5	A'	1489	1444	10.28
6	A'	1471	1425	0.89
7	A'	1345	1304	120.09
8	A'	1284	1245	30.95
9	A'	1175	1138	121.10
10	A'	1111	1077	246.88
11	A'	872	845	26.71
12	A'	641	621	15.80
13	A'	469	455	25.54
14	A'	273	265	8.65
15	A"	3124	3028	8.41
16	A"	1254	1215	0.18
17	A"	1035	1003	0.80
18	A"	644	624	114.40
19	A"	513	497	7.53
20	A"	310	300	70.62
21	A"	75	73	14.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.598	-0.866	0.000
C2	0.000	0.524	0.000
O3	-0.950	1.489	0.000
O4	1.201	0.745	0.000
O5	0.411	-1.857	0.000
H6	-1.241	-0.964	0.891
H7	-1.241	-0.964	-0.891
H8	1.258	-1.379	0.000
H9	-0.482	2.343	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5134	2.3818	2.4154	1.4143	1.1027	1.1027	1.9261	3.2110
C2	1.5134		1.3548	1.2213	2.4157	2.1326	2.1326	2.2814	1.8815
O3	2.3818	1.3548		2.2768	3.6124	2.6265	2.6265	3.6204	0.9735
O4	2.4154	1.2213	2.2768		2.7188	3.1110	3.1110	2.1249	2.3205
O5	1.4143	2.4157	3.6124	2.7188		2.0783	2.0783	0.9722	4.2931
H6	1.1027	2.1326	2.6265	3.1110	2.0783		1.7816	2.6853	3.5079
H7	1.1027	2.1326	2.6265	3.1110	2.0783	1.7816		2.6853	3.5079
H8	1.9261	2.2814	3.6204	2.1249	0.9722	2.6853	2.6853		4.1085
H9	3.2110	1.8815	0.9735	2.3205	4.2931	3.5079	3.5079	4.1085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.160	C1	C2	O4	123.719
C1	O5	H8	106.145	C2	C1	O5	111.158
C2	C1	H6	108.184	C2	C1	H7	108.184
C2	O3	H9	106.669	O3	C2	O4	124.121
O5	C1	H6	110.713	O5	C1	H7	110.713
H6	C1	H7	107.768

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

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

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