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	hartrees
Energy at 0K	-302.733260
Energy at 298.15K
HF Energy	-302.733260
Nuclear repulsion energy	182.082984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4128	3733	73.94
2	A'	4120	3726	97.92
3	A'	3212	2905	34.53
4	A'	2013	1820	429.27
5	A'	1641	1484	7.90
6	A'	1628	1473	2.69
7	A'	1475	1334	129.38
8	A'	1411	1276	90.35
9	A'	1324	1198	187.86
10	A'	1242	1123	236.28
11	A'	936	846	41.85
12	A'	713	645	32.33
13	A'	512	463	26.98
14	A'	305	276	7.91
15	A"	3243	2933	34.10
16	A"	1376	1244	0.06
17	A"	1151	1041	3.19
18	A"	721	652	194.23
19	A"	554	501	12.59
20	A"	249	226	95.44
21	A"	47i	42i	46.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	-0.867	0.000
C2	0.000	0.525	0.000
O3	-0.934	1.458	0.000
O4	1.160	0.758	0.000
O5	0.418	-1.830	0.000
H6	-1.211	-0.968	0.875
H7	-1.211	-0.968	-0.875
H8	1.264	-1.414	0.000
H9	-0.529	2.311	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5069	2.3522	2.3789	1.3841	1.0849	1.0849	1.9202	3.1785
C2	1.5069		1.3202	1.1832	2.3912	2.1120	2.1120	2.3145	1.8627
O3	2.3522	1.3202		2.2079	3.5545	2.5937	2.5937	3.6164	0.9445
O4	2.3789	1.1832	2.2079		2.6922	3.0604	3.0604	2.1749	2.2941
O5	1.3841	2.3912	3.5545	2.6922		2.0394	2.0394	0.9424	4.2473
H6	1.0849	2.1120	2.5937	3.0604	2.0394		1.7498	2.6620	3.4616
H7	1.0849	2.1120	2.5937	3.0604	2.0394	1.7498		2.6620	3.4616
H8	1.9202	2.3145	3.6164	2.1749	0.9424	2.6620	2.6620		4.1340
H9	3.1785	1.8627	0.9445	2.2941	4.2473	3.4616	3.4616	4.1340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.445	C1	C2	O4	123.891
C1	O5	H8	109.792	C2	C1	O5	111.538
C2	C1	H6	108.039	C2	C1	H7	108.039
C2	O3	H9	109.549	O3	C2	O4	123.664
O5	C1	H6	110.791	O5	C1	H7	110.791
H6	C1	H7	107.489

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

using model chemistry: HF/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	-0.118
2	C	0.500
3	O	-0.604
4	O	-0.460
5	O	-0.673
6	H	0.231
7	H	0.231
8	H	0.445
9	H	0.448

	x	y	z	Total
	-1.285	2.029	0.000	2.401
CHELPG
AIM
ESP

	x	y	z
x	4.768	-0.016	0.000
y	-0.016	4.381	0.000
z	0.000	0.000	2.912

<r²>	109.549
(<r²>)^1/2	10.467

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

using model chemistry: HF/6-311G*

States and conformations

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