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	hartrees
Energy at 0K	-304.228693
Energy at 298.15K	-304.234088
HF Energy	-304.228693
Nuclear repulsion energy	177.784644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3589	3561	32.39
2	A'	3558	3530	57.70
3	A'	2919	2896	35.49
4	A'	1749	1735	222.59
5	A'	1472	1461	6.97
6	A'	1430	1419	34.30
7	A'	1323	1313	107.65
8	A'	1264	1254	20.47
9	A'	1130	1121	132.75
10	A'	1064	1056	209.61
11	A'	822	815	36.92
12	A'	622	617	13.16
13	A'	454	450	25.07
14	A'	275	273	8.92
15	A"	2933	2911	32.38
16	A"	1205	1196	1.30
17	A"	1011	1003	0.52
18	A"	652	647	122.92
19	A"	486	482	2.20
20	A"	302	300	65.66
21	A"	45	44	13.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.608	-0.875	0.000
C2	0.000	0.527	0.000
O3	-0.941	1.513	0.000
O4	1.209	0.734	0.000
O5	0.403	-1.868	0.000
H6	-1.265	-0.966	0.888
H7	-1.265	-0.966	-0.888
H8	1.250	-1.368	0.000
H9	-0.445	2.362	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5285	2.4113	2.4273	1.4170	1.1088	1.1088	1.9224	3.2421
C2	1.5285		1.3628	1.2268	2.4287	2.1489	2.1489	2.2704	1.8888
O3	2.4113	1.3628		2.2870	3.6382	2.6527	2.6527	3.6196	0.9839
O4	2.4273	1.2268	2.2870		2.7238	3.1305	3.1305	2.1024	2.3217
O5	1.4170	2.4287	3.6382	2.7238		2.0946	2.0946	0.9834	4.3148
H6	1.1088	2.1489	2.6527	3.1305	2.0946		1.7769	2.6979	3.5410
H7	1.1088	2.1489	2.6527	3.1305	2.0946	1.7769		2.6979	3.5410
H8	1.9224	2.2704	3.6196	2.1024	0.9834	2.6979	2.6979		4.0979
H9	3.2421	1.8888	0.9839	2.3217	4.3148	3.5410	3.5410	4.0979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.892	C1	C2	O4	123.144
C1	O5	H8	104.986	C2	C1	O5	111.027
C2	C1	H6	108.084	C2	C1	H7	108.084
C2	O3	H9	106.069	O3	C2	O4	123.963
O5	C1	H6	111.472	O5	C1	H7	111.472
H6	C1	H7	106.504

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.042
2	C	0.487
3	O	-0.433
4	O	-0.436
5	O	-0.507
6	H	0.115
7	H	0.115
8	H	0.304
9	H	0.314

	x	y	z	Total
	-1.109	2.039	0.000	2.321
CHELPG
AIM
ESP

	x	y	z
x	5.419	-0.157	0.000
y	-0.157	5.630	0.000
z	0.000	0.000	3.071

<r²>	112.955
(<r²>)^1/2	10.628

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

using model chemistry: BLYP/6-31G**

States and conformations

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