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	hartrees
Energy at 0K	-60.403682
Energy at 298.15K
HF Energy	-60.403682
Nuclear repulsion energy	100.888906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4114	3694	97.10
2	A'	4096	3678	123.32
3	A'	3261	2929	47.65
4	A'	2005	1801	460.03
5	A'	1639	1471	4.23
6	A'	1623	1458	1.93
7	A'	1463	1314	143.97
8	A'	1395	1253	89.68
9	A'	1318	1184	181.61
10	A'	1239	1113	228.66
11	A'	935	839	36.49
12	A'	699	628	31.17
13	A'	503	452	26.86
14	A'	295	265	7.94
15	A"	3302	2966	39.44
16	A"	1359	1220	0.00
17	A"	1138	1022	1.62
18	A"	695	624	186.39
19	A"	547	491	15.67
20	A"	252	226	96.91
21	A"	49i	44i	44.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.587	-0.878	0.000
C2	0.000	0.530	0.000
O3	-0.941	1.474	0.000
O4	1.177	0.768	0.000
O5	0.415	-1.851	0.000
H6	-1.220	-0.977	0.882
H7	-1.220	-0.977	-0.882
H8	1.266	-1.420	0.000
H9	-0.512	2.328	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5258	2.3788	2.4125	1.3967	1.0902	1.0902	1.9302	3.2070
C2	1.5258		1.3329	1.2005	2.4175	2.1302	2.1302	2.3255	1.8691
O3	2.3788	1.3329		2.2327	3.5913	2.6195	2.6195	3.6400	0.9560
O4	2.4125	1.2005	2.2327		2.7278	3.0931	3.0931	2.1905	2.2987
O5	1.3967	2.4175	3.5913	2.7278		2.0534	2.0534	0.9533	4.2808
H6	1.0902	2.1302	2.6195	3.0931	2.0534		1.7639	2.6746	3.4931
H7	1.0902	2.1302	2.6195	3.0931	2.0534	1.7639		2.6746	3.4931
H8	1.9302	2.3255	3.6400	2.1905	0.9533	2.6746	2.6746		4.1486
H9	3.2070	1.8691	0.9560	2.2987	4.2808	3.4931	3.4931	4.1486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.455	C1	C2	O4	124.037
C1	O5	H8	108.982	C2	C1	O5	111.547
C2	C1	H6	107.873	C2	C1	H7	107.873
C2	O3	H9	108.359	O3	C2	O4	123.508
O5	C1	H6	110.713	O5	C1	H7	110.713
H6	C1	H7	107.984

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

using model chemistry: HF/CEP-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	0.019
2	C	0.057
3	O	-0.436
4	O	-0.263
5	O	-0.576
6	H	0.136
7	H	0.136
8	H	0.451
9	H	0.475

	x	y	z	Total
	-1.444	2.004	0.000	2.470
CHELPG
AIM
ESP

	x	y	z
x	4.773	0.015	0.000
y	0.015	4.468	0.000
z	0.000	0.000	2.954

<r²>	91.575
(<r²>)^1/2	9.569

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

using model chemistry: HF/CEP-31G*

States and conformations

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