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	hartrees
Energy at 0K	-302.847459
Energy at 298.15K	-302.853179
HF Energy	-302.847459
Nuclear repulsion energy	181.627807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3596	3562	49.35
2	A'	3500	3466	76.66
3	A'	2917	2889	32.26
4	A'	1807	1790	265.93
5	A'	1463	1449	13.17
6	A'	1425	1411	24.80
7	A'	1355	1342	182.47
8	A'	1258	1246	12.35
9	A'	1173	1162	95.60
10	A'	1143	1132	254.35
11	A'	870	861	56.07
12	A'	649	643	15.64
13	A'	477	472	37.48
14	A'	297	294	8.38
15	A"	2934	2906	18.04
16	A"	1194	1183	1.65
17	A"	1008	998	2.39
18	A"	683	677	151.51
19	A"	504	499	0.02
20	A"	391	387	90.37
21	A"	100	99	10.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.625	-0.844	0.000
C2	0.000	0.511	0.000
O3	-0.872	1.512	0.000
O4	1.201	0.658	0.000
O5	0.354	-1.818	0.000
H6	-1.288	-0.917	0.887
H7	-1.288	-0.917	-0.887
H8	1.209	-1.329	0.000
H9	-0.355	2.346	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.4915	2.3682	2.3647	1.3816	1.1103	1.1103	1.8978	3.2010
C2	1.4915		1.3275	1.2104	2.3554	2.1181	2.1181	2.2020	1.8693
O3	2.3682	1.3275		2.2419	3.5483	2.6194	2.6194	3.5219	0.9815
O4	2.3647	1.2104	2.2419		2.6171	3.0771	3.0771	1.9878	2.2955
O5	1.3816	2.3554	3.5483	2.6171		2.0730	2.0730	0.9847	4.2239
H6	1.1103	2.1181	2.6194	3.0771	2.0730		1.7746	2.6826	3.5083
H7	1.1103	2.1181	2.6194	3.0771	2.0730	1.7746		2.6826	3.5083
H8	1.8978	2.2020	3.5219	1.9878	0.9847	2.6826	2.6826		3.9944
H9	3.2010	1.8693	0.9815	2.2955	4.2239	3.5083	3.5083	3.9944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.174	C1	C2	O4	121.785
C1	O5	H8	105.411	C2	C1	O5	110.071
C2	C1	H6	108.100	C2	C1	H7	108.100
C2	O3	H9	107.158	O3	C2	O4	124.041
O5	C1	H6	112.130	O5	C1	H7	112.130
H6	C1	H7	106.103

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

using model chemistry: SVWN/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	-0.299
2	C	0.264
3	O	-0.449
4	O	-0.312
5	O	-0.528
6	H	0.258
7	H	0.258
8	H	0.394
9	H	0.414

	x	y	z	Total
	-1.081	2.422	0.000	2.653
CHELPG
AIM
ESP

	x	y	z
x	5.473	-0.068	0.000
y	-0.068	5.649	0.000
z	0.000	0.000	3.237

<r²>	108.711
(<r²>)^1/2	10.426

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

using model chemistry: SVWN/6-311G*

States and conformations

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