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	hartrees
Energy at 0K	-300.963394
Energy at 298.15K	-300.969123
HF Energy	-300.963394
Nuclear repulsion energy	179.795955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3490	90.98
2	A'	3844	3469	58.86
3	A'	3233	2918	13.22
4	A'	1950	1761	261.20
5	A'	1671	1508	15.45
6	A'	1576	1423	20.64
7	A'	1469	1326	96.93
8	A'	1413	1275	80.32
9	A'	1237	1116	230.34
10	A'	1149	1037	173.89
11	A'	900	813	45.95
12	A'	694	626	30.86
13	A'	497	449	31.82
14	A'	286	258	8.98
15	A"	3265	2947	17.56
16	A"	1354	1222	0.15
17	A"	1155	1043	4.09
18	A"	692	624	229.95
19	A"	550	496	29.70
20	A"	301	272	118.84
21	A"	89	80	32.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.601	-0.860	0.000
C2	0.000	0.518	0.000
O3	-0.944	1.476	0.000
O4	1.183	0.741	0.000
O5	0.429	-1.843	0.000
H6	-1.229	-0.957	0.876
H7	-1.229	-0.957	-0.876
H8	1.293	-1.403	0.000
H9	-0.573	2.371	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5034	2.3602	2.3976	1.4242	1.0818	1.0818	1.9710	3.2306
C2	1.5034		1.3445	1.2043	2.3996	2.1102	2.1102	2.3162	1.9393
O3	2.3602	1.3445		2.2508	3.5911	2.6006	2.6006	3.6460	0.9690
O4	2.3976	1.2043	2.2508		2.6917	3.0774	3.0774	2.1474	2.3963
O5	1.4242	2.3996	3.5911	2.6917		2.0742	2.0742	0.9692	4.3311
H6	1.0818	2.1102	2.6006	3.0774	2.0742		1.7512	2.7072	3.5026
H7	1.0818	2.1102	2.6006	3.0774	2.0742	1.7512		2.7072	3.5026
H8	1.9710	2.3162	3.6460	2.1474	0.9692	2.7072	2.7072		4.2105
H9	3.2306	1.9393	0.9690	2.3963	4.3311	3.5026	3.5026	4.2105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.816	C1	C2	O4	124.248
C1	O5	H8	109.403	C2	C1	O5	110.068
C2	C1	H6	108.317	C2	C1	H7	108.317
C2	O3	H9	112.901	O3	C2	O4	123.937
O5	C1	H6	110.988	O5	C1	H7	110.988
H6	C1	H7	108.070

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

using model chemistry: HF/3-21G*

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	-0.123
2	C	0.801
3	O	-0.714
4	O	-0.607
5	O	-0.691
6	H	0.252
7	H	0.252
8	H	0.406
9	H	0.424

	x	y	z	Total
	-1.286	2.347	0.000	2.676
CHELPG
AIM
ESP

	x	y	z
x	4.419	-0.082	0.000
y	-0.082	3.925	0.000
z	0.000	0.000	2.197

<r²>	111.370
(<r²>)^1/2	10.553

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

using model chemistry: HF/3-21G*

States and conformations

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