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	hartrees
Energy at 0K	-304.243391
Energy at 298.15K	-304.248919
HF Energy	-304.243391
Nuclear repulsion energy	177.847300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3536	3542	37.55
2	A'	3498	3503	69.97
3	A'	2896	2900	40.01
4	A'	1737	1740	233.58
5	A'	1435	1437	17.68
6	A'	1413	1415	22.56
7	A'	1319	1321	101.47
8	A'	1249	1251	15.95
9	A'	1128	1130	128.09
10	A'	1066	1067	203.42
11	A'	824	825	33.97
12	A'	622	623	12.76
13	A'	452	453	24.36
14	A'	271	271	9.92
15	A"	2907	2912	35.65
16	A"	1190	1192	0.91
17	A"	996	997	0.71
18	A"	648	649	106.68
19	A"	491	492	3.04
20	A"	340	340	58.65
21	A"	87	88	6.51

Atom	x (Å)	y (Å)	z (Å)
C1	-0.609	-0.875	0.000
C2	0.000	0.526	0.000
O3	-0.936	1.515	0.000
O4	1.209	0.727	0.000
O5	0.401	-1.867	0.000
H6	-1.274	-0.962	0.893
H7	-1.274	-0.962	-0.893
H8	1.244	-1.355	0.000
H9	-0.432	2.364	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5273	2.4126	2.4236	1.4155	1.1167	1.1167	1.9147	3.2434
C2	1.5273		1.3625	1.2260	2.4257	2.1524	2.1524	2.2549	1.8881
O3	2.4126	1.3625		2.2858	3.6368	2.6548	2.6548	3.6047	0.9870
O4	2.4236	1.2260	2.2858		2.7170	3.1331	3.1331	2.0823	2.3176
O5	1.4155	2.4257	3.6368	2.7170		2.1026	2.1026	0.9867	4.3115
H6	1.1167	2.1524	2.6548	3.1331	2.1026		1.7863	2.7006	3.5448
H7	1.1167	2.1524	2.6548	3.1331	2.1026	1.7863		2.7006	3.5448
H8	1.9147	2.2549	3.6047	2.0823	0.9867	2.7006	2.7006		4.0789
H9	3.2434	1.8881	0.9870	2.3176	4.3115	3.5448	3.5448	4.0789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.079	C1	C2	O4	122.973
C1	O5	H8	104.273	C2	C1	O5	110.970
C2	C1	H6	107.985	C2	C1	H7	107.985
C2	O3	H9	105.846	O3	C2	O4	123.948
O5	C1	H6	111.722	O5	C1	H7	111.722
H6	C1	H7	106.229

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

using model chemistry: BLYP/cc-pVDZ

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	0.175
2	C	0.069
3	O	-0.131
4	O	-0.215
5	O	-0.232
6	H	0.027
7	H	0.027
8	H	0.130
9	H	0.151

	x	y	z	Total
	-1.099	1.953	0.000	2.241
CHELPG
AIM
ESP

	x	y	z
x	5.460	-0.147	0.000
y	-0.147	5.788	0.000
z	0.000	0.000	3.156

<r²>	112.804
(<r²>)^1/2	10.621

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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