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	hartrees
Energy at 0K	-60.413686
Energy at 298.15K
HF Energy	-60.413686
Nuclear repulsion energy	101.164916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4094	3699	86.45
2	A'	4079	3685	108.88
3	A'	3224	2913	37.39
4	A'	1977	1786	449.11
5	A'	1641	1482	5.51
6	A'	1622	1465	2.19
7	A'	1463	1321	132.49
8	A'	1400	1265	77.85
9	A'	1311	1185	184.46
10	A'	1232	1113	242.78
11	A'	926	836	36.16
12	A'	700	632	32.40
13	A'	502	454	26.75
14	A'	297	268	7.86
15	A"	3263	2948	34.67
16	A"	1362	1231	0.01
17	A"	1142	1032	1.72
18	A"	696	628	180.97
19	A"	544	491	13.48
20	A"	259	234	96.62
21	A"	53i	48i	39.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.585	-0.875	0.000
C2	0.000	0.529	0.000
O3	-0.940	1.472	0.000
O4	1.171	0.764	0.000
O5	0.418	-1.846	0.000
H6	-1.217	-0.975	0.878
H7	-1.217	-0.975	-0.878
H8	1.265	-1.416	0.000
H9	-0.513	2.323	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5209	2.3739	2.4026	1.3955	1.0866	1.0866	1.9273	3.1992
C2	1.5209		1.3318	1.1947	2.4106	2.1247	2.1247	2.3195	1.8664
O3	2.3739	1.3318		2.2268	3.5846	2.6147	2.6147	3.6332	0.9524
O4	2.4026	1.1947	2.2268		2.7163	3.0826	3.0826	2.1819	2.2950
O5	1.3955	2.4106	3.5846	2.7163		2.0499	2.0499	0.9498	4.2714
H6	1.0866	2.1247	2.6147	3.0826	2.0499		1.7560	2.6695	3.4853
H7	1.0866	2.1247	2.6147	3.0826	2.0499	1.7560		2.6695	3.4853
H8	1.9273	2.3195	3.6332	2.1819	0.9498	2.6695	2.6695		4.1400
H9	3.1992	1.8664	0.9524	2.2950	4.2714	3.4853	3.4853	4.1400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.474	C1	C2	O4	123.996
C1	O5	H8	109.042	C2	C1	O5	111.427
C2	C1	H6	107.989	C2	C1	H7	107.989
C2	O3	H9	108.450	O3	C2	O4	123.529
O5	C1	H6	110.744	O5	C1	H7	110.744
H6	C1	H7	107.810

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

using model chemistry: HF/CEP-121G*

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	-0.104
2	C	0.434
3	O	-0.537
4	O	-0.442
5	O	-0.660
6	H	0.180
7	H	0.180
8	H	0.472
9	H	0.477

	x	y	z	Total
	-1.418	1.962	0.000	2.421
CHELPG
AIM
ESP

	x	y	z
x	4.997	-0.009	0.000
y	-0.009	4.605	0.000
z	0.000	0.000	3.235

<r²>	91.181
(<r²>)^1/2	9.549

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

using model chemistry: HF/CEP-121G*

States and conformations

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