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	hartrees
Energy at 0K	-304.316383
Energy at 298.15K	-304.321921
HF Energy	-304.316383
Nuclear repulsion energy	179.227867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3720	3581	64.43
2	A	3685	3547	76.76
3	A	3066	2951	14.46
4	A	3033	2920	30.73
5	A	1798	1731	303.09
6	A	1504	1447	9.50
7	A	1461	1406	6.76
8	A	1339	1289	140.45
9	A	1276	1228	30.36
10	A	1243	1197	0.90
11	A	1167	1123	121.22
12	A	1106	1065	234.89
13	A	1031	993	0.72
14	A	854	822	39.13
15	A	650	625	132.32
16	A	636	612	16.20
17	A	499	480	6.76
18	A	462	445	29.53
19	A	328	316	90.80
20	A	273	263	9.19
21	A	74	71	15.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.741	-0.751	0.020
C2	0.518	0.100	0.005
O3	1.640	-0.644	-0.015
O4	0.499	1.315	0.011
O5	-1.892	0.051	-0.020
H6	-0.707	-1.438	-0.837
H7	-0.729	-1.365	0.931
H8	-1.606	0.980	-0.036
H9	2.408	-0.047	-0.017

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5199	2.3835	2.4092	1.4030	1.0984	1.0990	1.9358	3.2273
C2	1.5199		1.3459	1.2148	2.4101	2.1387	2.1350	2.2992	1.8960
O3	2.3835	1.3459		2.2666	3.5989	2.6098	2.6509	3.6289	0.9729
O4	2.4092	1.2148	2.2666		2.7035	3.1223	3.0874	2.1313	2.3455
O5	1.4030	2.4101	3.5989	2.7035		2.0711	2.0641	0.9718	4.3007
H6	1.0984	2.1387	2.6098	3.1223	2.0711		1.7698	2.7011	3.5084
H7	1.0990	2.1350	2.6509	3.0874	2.0641	1.7698		2.6837	3.5325
H8	1.9358	2.2992	3.6289	2.1313	0.9718	2.7011	2.6837		4.1432
H9	3.2273	1.8960	0.9729	2.3455	4.3007	3.5084	3.5325	4.1432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.408	C1	C2	O4	123.134
C1	O5	H8	107.816	C2	C1	O5	111.020
C2	C1	H6	108.465	C2	C1	H7	108.144
C2	O3	H9	108.630	O3	C2	O4	124.458
O5	C1	H6	111.199	O5	C1	H7	110.580
H6	C1	H7	107.297

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

using model chemistry: TPSSh/6-31+G**

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	-0.079
2	C	0.347
3	O	-0.411
4	O	-0.459
5	O	-0.491
6	H	0.179
7	H	0.179
8	H	0.362
9	H	0.373

	x	y	z	Total
	2.304	-0.990	0.032	2.508
CHELPG
AIM
ESP

	x	y	z
x	6.135	-0.118	-0.002
y	-0.118	6.032	-0.003
z	-0.002	-0.003	3.911

<r²>	112.013
(<r²>)^1/2	10.584

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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