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	hartrees
Energy at 0K	-304.307732
Energy at 298.15K
HF Energy	-304.307732
Nuclear repulsion energy	177.931742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3558	3549	21.48
2	A'	3539	3530	36.58
3	A'	2922	2915	38.07
4	A'	1734	1730	250.43
5	A'	1467	1464	8.41
6	A'	1431	1427	44.37
7	A'	1320	1317	74.38
8	A'	1267	1264	35.99
9	A'	1127	1124	156.45
10	A'	1050	1047	215.36
11	A'	820	818	38.34
12	A'	624	623	13.96
13	A'	454	453	25.07
14	A'	276	275	8.32
15	A"	2934	2927	32.05
16	A"	1210	1207	1.11
17	A"	1014	1011	0.87
18	A"	663	662	137.33
19	A"	493	492	3.87
20	A"	270	269	74.99
21	A"	32i	32i	23.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.599	-0.875	0.000
C2	0.000	0.529	0.000
O3	-0.950	1.503	0.000
O4	1.200	0.748	0.000
O5	0.414	-1.869	0.000
H6	-1.250	-0.976	0.888
H7	-1.250	-0.976	-0.888
H8	1.269	-1.391	0.000
H9	-0.479	2.364	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5262	2.4041	2.4230	1.4192	1.1055	1.1055	1.9387	3.2416
C2	1.5262		1.3613	1.2198	2.4329	2.1484	2.1484	2.3012	1.8973
O3	2.4041	1.3613		2.2791	3.6376	2.6506	2.6506	3.6474	0.9815
O4	2.4230	1.2198	2.2791		2.7322	3.1247	3.1247	2.1398	2.3308
O5	1.4192	2.4329	3.6376	2.7322		2.0868	2.0868	0.9801	4.3263
H6	1.1055	2.1484	2.6506	3.1247	2.0868		1.7756	2.7037	3.5414
H7	1.1055	2.1484	2.6506	3.1247	2.0868	1.7756		2.7037	3.5414
H8	1.9387	2.3012	3.6474	2.1398	0.9801	2.7037	2.7037		4.1423
H9	3.2416	1.8973	0.9815	2.3308	4.3263	3.5414	3.5414	4.1423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.603	C1	C2	O4	123.477
C1	O5	H8	106.363	C2	C1	O5	111.323
C2	C1	H6	108.380	C2	C1	H7	108.380
C2	O3	H9	107.041	O3	C2	O4	123.919
O5	C1	H6	110.876	O5	C1	H7	110.876
H6	C1	H7	106.849

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

using model chemistry: BLYP/6-311G*

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	-0.185
2	C	0.286
3	O	-0.448
4	O	-0.306
5	O	-0.531
6	H	0.215
7	H	0.215
8	H	0.372
9	H	0.383

	x	y	z	Total
	-1.056	2.118	0.000	2.366
CHELPG
AIM
ESP

	x	y	z
x	5.574	-0.163	0.000
y	-0.163	5.832	0.000
z	0.000	0.000	3.221

<r²>	113.404
(<r²>)^1/2	10.649

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

using model chemistry: BLYP/6-311G*

States and conformations

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