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	hartrees
Energy at 0K	-302.750663
Energy at 298.15K
HF Energy	-302.750663
Nuclear repulsion energy	182.098633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4127	3750	99.45
2	A'	4114	3738	129.17
3	A'	3189	2897	31.13
4	A'	2011	1827	420.42
5	A'	1625	1476	8.19
6	A'	1617	1469	2.10
7	A'	1466	1332	140.65
8	A'	1398	1270	64.89
9	A'	1311	1191	169.45
10	A'	1239	1125	239.78
11	A'	935	850	40.36
12	A'	715	649	31.65
13	A'	512	465	24.96
14	A'	304	276	8.31
15	A"	3221	2926	28.39
16	A"	1366	1241	0.18
17	A"	1143	1039	3.37
18	A"	698	634	163.74
19	A"	544	495	17.31
20	A"	254	231	82.46
21	A"	33i	30i	38.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	-0.867	0.000
C2	0.000	0.525	0.000
O3	-0.935	1.458	0.000
O4	1.160	0.757	0.000
O5	0.417	-1.831	0.000
H6	-1.211	-0.963	0.876
H7	-1.211	-0.963	-0.876
H8	1.257	-1.400	0.000
H9	-0.520	2.309	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5069	2.3528	2.3776	1.3844	1.0860	1.0860	1.9096	3.1767
C2	1.5069		1.3207	1.1830	2.3925	2.1089	2.1089	2.2993	1.8583
O3	2.3528	1.3207		2.2091	3.5561	2.5895	2.5895	3.6020	0.9462
O4	2.3776	1.1830	2.2091		2.6919	3.0570	3.0570	2.1590	2.2877
O5	1.3844	2.3925	3.5561	2.6919		2.0427	2.0427	0.9437	4.2447
H6	1.0860	2.1089	2.5895	3.0570	2.0427		1.7527	2.6552	3.4567
H7	1.0860	2.1089	2.5895	3.0570	2.0427	1.7527		2.6552	3.4567
H8	1.9096	2.2993	3.6020	2.1590	0.9437	2.6552	2.6552		4.1131
H9	3.1767	1.8583	0.9462	2.2877	4.2447	3.4567	3.4567	4.1131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.463	C1	C2	O4	123.787
C1	O5	H8	108.743	C2	C1	O5	111.613
C2	C1	H6	107.743	C2	C1	H7	107.743
C2	O3	H9	108.999	O3	C2	O4	123.750
O5	C1	H6	110.980	O5	C1	H7	110.980
H6	C1	H7	107.607

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

using model chemistry: HF/6-311G**

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	0.137
2	C	0.431
3	O	-0.404
4	O	-0.462
5	O	-0.480
6	H	0.112
7	H	0.112
8	H	0.274
9	H	0.279

	x	y	z	Total
	-1.413	1.890	0.000	2.360
CHELPG
AIM
ESP

	x	y	z
x	4.818	-0.019	0.000
y	-0.019	4.490	0.000
z	0.000	0.000	3.004

<r²>	109.426
(<r²>)^1/2	10.461

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

using model chemistry: HF/6-311G**

States and conformations

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