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	hartrees
Energy at 0K	-304.299873
Energy at 298.15K	-304.305429
HF Energy	-304.299873
Nuclear repulsion energy	179.633221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3752	3605	57.35
2	A'	3727	3581	69.24
3	A'	3010	2892	30.69
4	A'	1837	1765	262.62
5	A'	1512	1452	4.90
6	A'	1482	1424	18.14
7	A'	1370	1317	144.33
8	A'	1304	1252	24.77
9	A'	1189	1142	140.10
10	A'	1127	1083	216.36
11	A'	862	828	41.07
12	A'	650	625	17.75
13	A'	473	454	26.54
14	A'	285	274	8.94
15	A"	3034	2915	26.88
16	A"	1247	1198	0.68
17	A"	1046	1005	1.18
18	A"	668	642	138.16
19	A"	504	484	3.88
20	A"	314	301	76.85
21	A"	63	61	14.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.604	-0.867	0.000
C2	0.000	0.523	0.000
O3	-0.926	1.498	0.000
O4	1.197	0.725	0.000
O5	0.397	-1.848	0.000
H6	-1.255	-0.956	0.883
H7	-1.255	-0.956	-0.883
H8	1.241	-1.368	0.000
H9	-0.446	2.344	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5157	2.3872	2.4039	1.4018	1.1004	1.1004	1.9123	3.2151
C2	1.5157		1.3449	1.2137	2.4044	2.1311	2.1311	2.2618	1.8748
O3	2.3872	1.3449		2.2591	3.5986	2.6286	2.6286	3.5933	0.9725
O4	2.4039	1.2137	2.2591		2.6950	3.1011	3.1011	2.0934	2.3062
O5	1.4018	2.4044	3.5986	2.6950		2.0750	2.0750	0.9718	4.2763
H6	1.1004	2.1311	2.6286	3.1011	2.0750		1.7654	2.6801	3.5103
H7	1.1004	2.1311	2.6286	3.1011	2.0750	1.7654		2.6801	3.5103
H8	1.9123	2.2618	3.5933	2.0934	0.9718	2.6801	2.6801		4.0772
H9	3.2151	1.8748	0.9725	2.3062	4.2763	3.5103	3.5103	4.0772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.996	C1	C2	O4	123.082
C1	O5	H8	105.926	C2	C1	O5	110.938
C2	C1	H6	108.038	C2	C1	H7	108.038
C2	O3	H9	106.903	O3	C2	O4	123.922
O5	C1	H6	111.483	O5	C1	H7	111.483
H6	C1	H7	106.669

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

using model chemistry: B3LYP/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	0.034
2	C	0.532
3	O	-0.470
4	O	-0.468
5	O	-0.542
6	H	0.130
7	H	0.130
8	H	0.323
9	H	0.332

	x	y	z	Total
	-1.174	2.066	0.000	2.376
CHELPG
AIM
ESP

	x	y	z
x	5.187	-0.122	0.000
y	-0.122	5.184	0.000
z	0.000	0.000	3.002

<r²>	111.022
(<r²>)^1/2	10.537

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

using model chemistry: B3LYP/6-31G**

States and conformations

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