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	hartrees
Energy at 0K	-304.171457
Energy at 298.15K	-304.177048
HF Energy	-304.171457
Nuclear repulsion energy	180.088037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3719	3558	61.78
2	A'	3689	3529	74.85
3	A'	3028	2896	30.17
4	A'	1855	1775	269.98
5	A'	1522	1456	5.52
6	A'	1500	1435	19.96
7	A'	1385	1325	155.54
8	A'	1314	1257	22.49
9	A'	1204	1152	138.12
10	A'	1148	1098	216.26
11	A'	872	834	42.12
12	A'	654	625	18.30
13	A'	475	455	28.39
14	A'	286	274	8.84
15	A"	3054	2922	25.87
16	A"	1253	1199	0.80
17	A"	1050	1004	1.46
18	A"	678	649	144.39
19	A"	510	487	3.57
20	A"	325	311	82.98
21	A"	70	67	14.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.607	-0.864	0.000
C2	0.000	0.521	0.000
O3	-0.918	1.498	0.000
O4	1.197	0.716	0.000
O5	0.391	-1.841	0.000
H6	-1.258	-0.954	0.883
H7	-1.258	-0.954	-0.883
H8	1.236	-1.357	0.000
H9	-0.430	2.341	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5118	2.3822	2.3975	1.3966	1.1009	1.1009	1.9076	3.2101
C2	1.5118		1.3409	1.2123	2.3937	2.1304	2.1304	2.2476	1.8708
O3	2.3822	1.3409		2.2546	3.5863	2.6287	2.6287	3.5760	0.9743
O4	2.3975	1.2123	2.2546		2.6807	3.0975	3.0975	2.0729	2.2997
O5	1.3966	2.3937	3.5863	2.6807		2.0699	2.0699	0.9738	4.2621
H6	1.1009	2.1304	2.6287	3.0975	2.0699		1.7665	2.6759	3.5111
H7	1.1009	2.1304	2.6287	3.0975	2.0699	1.7665		2.6759	3.5111
H8	1.9076	2.2476	3.5760	2.0729	0.9738	2.6759	2.6759		4.0560
H9	3.2101	1.8708	0.9743	2.2997	4.2621	3.5111	3.5111	4.0560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.117	C1	C2	O4	122.937
C1	O5	H8	105.787	C2	C1	O5	110.721
C2	C1	H6	108.227	C2	C1	H7	108.227
C2	O3	H9	106.748	O3	C2	O4	123.946
O5	C1	H6	111.399	O5	C1	H7	111.399
H6	C1	H7	106.700

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

using model chemistry: B3PW91/6-31G*

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	-0.118
2	C	0.538
3	O	-0.563
4	O	-0.472
5	O	-0.631
6	H	0.194
7	H	0.194
8	H	0.426
9	H	0.433

	x	y	z	Total
	-1.162	2.145	0.000	2.439
CHELPG
AIM
ESP

	x	y	z
x	5.146	-0.107	0.000
y	-0.107	5.092	0.000
z	0.000	0.000	2.979

<r²>	110.396
(<r²>)^1/2	10.507

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

using model chemistry: B3PW91/6-31G*

States and conformations

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