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	hartrees
Energy at 0K	-304.422432
Energy at 298.15K	-304.428083
HF Energy	-304.422432
Nuclear repulsion energy	179.995877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3741	3616	68.64
2	A'	3727	3602	74.86
3	A'	3006	2906	31.46
4	A'	1811	1750	286.03
5	A'	1496	1446	8.64
6	A'	1467	1418	12.49
7	A'	1354	1309	121.96
8	A'	1299	1255	28.00
9	A'	1174	1134	132.12
10	A'	1111	1074	233.71
11	A'	858	830	38.74
12	A'	650	628	16.33
13	A'	472	456	23.90
14	A'	280	271	9.28
15	A"	3028	2927	16.56
16	A"	1255	1213	0.07
17	A"	1041	1006	1.80
18	A"	654	632	113.61
19	A"	510	493	10.14
20	A"	336	325	76.41
21	A"	95	92	8.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.593	-0.866	0.000
C2	0.000	0.523	0.000
O3	-0.936	1.487	0.000
O4	1.186	0.739	0.000
O5	0.407	-1.848	0.000
H6	-1.239	-0.961	0.880
H7	-1.239	-0.961	-0.880
H8	1.255	-1.381	0.000
H9	-0.477	2.340	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5103	2.3776	2.3963	1.4021	1.0955	1.0955	1.9186	3.2081
C2	1.5103		1.3437	1.2058	2.4056	2.1237	2.1237	2.2800	1.8787
O3	2.3776	1.3437		2.2505	3.5952	2.6186	2.6186	3.6088	0.9689
O4	2.3963	1.2058	2.2505		2.7014	3.0891	3.0891	2.1206	2.3090
O5	1.4021	2.4056	3.5952	2.7014		2.0665	2.0665	0.9677	4.2804
H6	1.0955	2.1237	2.6186	3.0891	2.0665		1.7606	2.6772	3.5000
H7	1.0955	2.1237	2.6186	3.0891	2.0665	1.7606		2.6772	3.5000
H8	1.9186	2.2800	3.6088	2.1206	0.9677	2.6772	2.6772		4.1042
H9	3.2081	1.8787	0.9689	2.3090	4.2804	3.5000	3.5000	4.1042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.703	C1	C2	O4	123.443
C1	O5	H8	106.675	C2	C1	O5	111.324
C2	C1	H6	108.121	C2	C1	H7	108.121
C2	O3	H9	107.558	O3	C2	O4	123.855
O5	C1	H6	111.074	O5	C1	H7	111.074
H6	C1	H7	106.953

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

using model chemistry: B3LYP/cc-pVTZ

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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Number	Element	Mulliken
1	C	0.054
2	C	0.266
3	O	-0.250
4	O	-0.313
5	O	-0.347
6	H	0.078
7	H	0.078
8	H	0.212
9	H	0.221

	x	y	z	Total
	-1.308	1.856	0.000	2.271
CHELPG
AIM
ESP

	x	y	z
x	5.714	-0.109	0.000
y	-0.109	5.923	0.000
z	0.000	0.000	3.690

<r²>	111.133
(<r²>)^1/2	10.542

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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