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	hartrees
Energy at 0K	-304.320023
Energy at 298.15K	-304.325671
HF Energy	-304.320023
Nuclear repulsion energy	180.070313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3749	3618	58.96
2	A'	3726	3596	71.68
3	A'	2998	2893	30.91
4	A'	1831	1767	254.68
5	A'	1497	1444	6.09
6	A'	1476	1425	18.83
7	A'	1371	1323	135.80
8	A'	1304	1258	20.14
9	A'	1181	1140	126.15
10	A'	1125	1085	215.26
11	A'	860	830	37.77
12	A'	652	629	16.85
13	A'	472	456	24.70
14	A'	286	276	8.98
15	A"	3018	2913	23.16
16	A"	1244	1200	0.18
17	A"	1041	1005	1.15
18	A"	664	641	116.67
19	A"	509	491	5.35
20	A"	341	329	67.67
21	A"	91	88	7.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.599	-0.868	0.000
C2	0.000	0.523	0.000
O3	-0.930	1.491	0.000
O4	1.190	0.728	0.000
O5	0.404	-1.842	0.000
H6	-1.251	-0.960	0.882
H7	-1.251	-0.960	-0.882
H8	1.243	-1.357	0.000
H9	-0.458	2.338	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5149	2.3825	2.3974	1.3986	1.1004	1.1004	1.9056	3.2093
C2	1.5149		1.3424	1.2072	2.3998	2.1313	2.1313	2.2539	1.8718
O3	2.3825	1.3424		2.2529	3.5907	2.6251	2.6251	3.5825	0.9693
O4	2.3974	1.2072	2.2529		2.6875	3.0956	3.0956	2.0858	2.3039
O5	1.3986	2.3998	3.5907	2.6875		2.0723	2.0723	0.9685	4.2684
H6	1.1004	2.1313	2.6251	3.0956	2.0723		1.7644	2.6742	3.5050
H7	1.1004	2.1313	2.6251	3.0956	2.0723	1.7644		2.6742	3.5050
H8	1.9056	2.2539	3.5825	2.0858	0.9685	2.6742	2.6742		4.0679
H9	3.2093	1.8718	0.9693	2.3039	4.2684	3.5050	3.5050	4.0679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.852	C1	C2	O4	123.062
C1	O5	H8	105.795	C2	C1	O5	110.852
C2	C1	H6	108.118	C2	C1	H7	108.118
C2	O3	H9	107.021	O3	C2	O4	124.086
O5	C1	H6	111.492	O5	C1	H7	111.492
H6	C1	H7	106.581

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.133
2	C	0.388
3	O	-0.359
4	O	-0.347
5	O	-0.418
6	H	0.131
7	H	0.131
8	H	0.298
9	H	0.310

	x	y	z	Total
	-1.200	1.922	0.000	2.266
CHELPG
AIM
ESP

	x	y	z
x	5.326	-0.109	0.000
y	-0.109	5.510	0.000
z	0.000	0.000	3.406

<r²>	110.476
(<r²>)^1/2	10.511

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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