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	hartrees
Energy at 0K	-300.161063
Energy at 298.15K	-300.166563
HF Energy	-300.161063
Nuclear repulsion energy	174.729014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3687	3291	11.42
2	A'	3437	3067	65.89
3	A'	3230	2883	7.39
4	A'	1846	1648	31.02
5	A'	1696	1513	100.95
6	A'	1653	1476	1.00
7	A'	1494	1333	41.25
8	A'	1361	1214	13.60
9	A'	1221	1090	118.78
10	A'	1121	1000	16.15
11	A'	877	783	11.20
12	A'	620	553	8.89
13	A'	440	392	46.30
14	A'	287	256	8.65
15	A"	3314	2957	6.37
16	A"	1241	1107	0.07
17	A"	1056	942	0.01
18	A"	650	580	121.54
19	A"	606	541	4.69
20	A"	468	418	9.45
21	A"	118	105	2.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.724	-0.869	0.000
C2	0.000	0.525	0.000
O3	-0.836	1.655	0.000
O4	1.261	0.558	0.000
O5	0.340	-1.871	0.000
H6	-1.381	-0.949	0.899
H7	-1.381	-0.949	-0.899
H8	1.153	-1.216	0.000
H9	-0.164	2.435	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5708	2.5265	2.4441	1.4619	1.1163	1.1163	1.9090	3.3504
C2	1.5708		1.4059	1.2612	2.4200	2.2111	2.2111	2.0881	1.9163
O3	2.5265	1.4059		2.3671	3.7172	2.8087	2.8087	3.4929	1.0295
O4	2.4441	1.2612	2.3671		2.5969	3.1712	3.1712	1.7765	2.3562
O5	1.4619	2.4200	3.7172	2.5969		2.1493	2.1493	1.0439	4.3347
H6	1.1163	2.2111	2.8087	3.1712	2.1493		1.7982	2.7018	3.7068
H7	1.1163	2.2111	2.8087	3.1712	2.1493	1.7982		2.7018	3.7068
H8	1.9090	2.0881	3.4929	1.7765	1.0439	2.7018	2.7018		3.8804
H9	3.3504	1.9163	1.0295	2.3562	4.3347	3.7068	3.7068	3.8804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	116.043	C1	C2	O4	118.921
C1	O5	H8	97.858	C2	C1	O5	105.823
C2	C1	H6	109.589	C2	C1	H7	109.589
C2	O3	H9	102.686	O3	C2	O4	125.036
O5	C1	H6	112.259	O5	C1	H7	112.259
H6	C1	H7	107.307

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

using model chemistry: B3LYP/STO-3G

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	-0.071
2	C	0.207
3	O	-0.204
4	O	-0.219
5	O	-0.261
6	H	0.080
7	H	0.080
8	H	0.175
9	H	0.213

	x	y	z	Total
	-0.498	2.440	0.000	2.490
CHELPG
AIM
ESP

	x	y	z
x	3.370	-0.079	0.000
y	-0.079	3.651	0.000
z	0.000	0.000	1.213

<r²>	113.548
(<r²>)^1/2	10.656

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

using model chemistry: B3LYP/STO-3G

States and conformations

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