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	hartrees
Energy at 0K	-300.101075
Energy at 298.15K	-300.106649
HF Energy	-300.101075
Nuclear repulsion energy	176.086244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3326	8.47
2	A'	3536	3122	59.87
3	A'	3274	2891	6.76
4	A'	1897	1675	42.91
5	A'	1709	1509	89.83
6	A'	1662	1467	1.25
7	A'	1517	1339	51.52
8	A'	1377	1216	17.46
9	A'	1250	1104	116.64
10	A'	1159	1023	19.02
11	A'	902	796	12.05
12	A'	632	558	9.73
13	A'	450	397	47.36
14	A'	297	263	7.77
15	A"	3359	2966	4.11
16	A"	1255	1109	0.11
17	A"	1067	942	0.07
18	A"	656	579	135.47
19	A"	611	540	0.55
20	A"	482	426	10.95
21	A"	120	106	2.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.716	-0.862	0.000
C2	0.000	0.521	0.000
O3	-0.832	1.638	0.000
O4	1.253	0.558	0.000
O5	0.337	-1.856	0.000
H6	-1.372	-0.940	0.895
H7	-1.372	-0.940	-0.895
H8	1.144	-1.208	0.000
H9	-0.168	2.416	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5572	2.5034	2.4273	1.4478	1.1125	1.1125	1.8915	3.3238
C2	1.5572		1.3933	1.2531	2.4006	2.1945	2.1945	2.0726	1.9029
O3	2.5034	1.3933		2.3477	3.6849	2.7819	2.7819	3.4646	1.0223
O4	2.4273	1.2531	2.3477		2.5820	3.1516	3.1516	1.7690	2.3390
O5	1.4478	2.4006	3.6849	2.5820		2.1359	2.1359	1.0352	4.3021
H6	1.1125	2.1945	2.7819	3.1516	2.1359		1.7901	2.6838	3.6757
H7	1.1125	2.1945	2.7819	3.1516	2.1359	1.7901		2.6838	3.6757
H8	1.8915	2.0726	3.4646	1.7690	1.0352	2.6838	2.6838		3.8540
H9	3.3238	1.9029	1.0223	2.3390	4.3021	3.6757	3.6757	3.8540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.984	C1	C2	O4	119.075
C1	O5	H8	97.857	C2	C1	O5	105.987
C2	C1	H6	109.439	C2	C1	H7	109.439
C2	O3	H9	102.874	O3	C2	O4	124.941
O5	C1	H6	112.412	O5	C1	H7	112.412
H6	C1	H7	107.126

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

using model chemistry: B1B95/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	-0.076
2	C	0.214
3	O	-0.216
4	O	-0.226
5	O	-0.272
6	H	0.085
7	H	0.085
8	H	0.185
9	H	0.222

	x	y	z	Total
	-0.491	2.462	0.000	2.510
CHELPG
AIM
ESP

	x	y	z
x	3.303	-0.071	0.000
y	-0.071	3.500	0.000
z	0.000	0.000	1.190

<r²>	112.032
(<r²>)^1/2	10.585

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

using model chemistry: B1B95/STO-3G

States and conformations

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