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	hartrees
Energy at 0K	-302.595614
Energy at 298.15K	-302.601230
HF Energy	-302.595614
Nuclear repulsion energy	177.632799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3469	3337	21.40
2	A'	3391	3262	30.93
3	A'	3026	2911	22.52
4	A'	1762	1695	155.92
5	A'	1555	1496	11.42
6	A'	1482	1426	59.43
7	A'	1381	1328	90.45
8	A'	1323	1273	35.10
9	A'	1125	1082	194.18
10	A'	1044	1004	135.01
11	A'	836	805	41.05
12	A'	637	613	16.16
13	A'	461	444	30.48
14	A'	273	262	9.73
15	A"	3043	2927	27.11
16	A"	1234	1187	2.61
17	A"	1072	1031	1.52
18	A"	664	639	168.39
19	A"	518	498	9.31
20	A"	358	344	89.39
21	A"	94	90	13.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.625	-0.862	0.000
C2	0.000	0.519	0.000
O3	-0.939	1.510	0.000
O4	1.214	0.712	0.000
O5	0.413	-1.861	0.000
H6	-1.271	-0.943	0.885
H7	-1.271	-0.943	-0.885
H8	1.270	-1.343	0.000
H9	-0.484	2.398	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5157	2.3932	2.4207	1.4401	1.0988	1.0988	1.9541	3.2635
C2	1.5157		1.3655	1.2297	2.4156	2.1295	2.1295	2.2533	1.9406
O3	2.3932	1.3655		2.2967	3.6323	2.6287	2.6287	3.6080	0.9980
O4	2.4207	1.2297	2.2967		2.6951	3.1142	3.1142	2.0554	2.3931
O5	1.4401	2.4156	3.6323	2.6951		2.1122	2.1122	1.0016	4.3527
H6	1.0988	2.1295	2.6287	3.1142	2.1122		1.7698	2.7199	3.5447
H7	1.0988	2.1295	2.6287	3.1142	2.1122	1.7698		2.7199	3.5447
H8	1.9541	2.2533	3.6080	2.0554	1.0016	2.7199	2.7199		4.1314
H9	3.2635	1.9406	0.9980	2.3931	4.3527	3.5447	3.5447	4.1314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.216	C1	C2	O4	123.364
C1	O5	H8	104.898	C2	C1	O5	109.591
C2	C1	H6	108.008	C2	C1	H7	108.008
C2	O3	H9	109.395	O3	C2	O4	124.419
O5	C1	H6	111.895	O5	C1	H7	111.895
H6	C1	H7	107.281

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

using model chemistry: B3LYP/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	-0.169
2	C	0.581
3	O	-0.548
4	O	-0.475
5	O	-0.561
6	H	0.225
7	H	0.225
8	H	0.348
9	H	0.374

	x	y	z	Total
	-1.015	2.525	0.000	2.721
CHELPG
AIM
ESP

	x	y	z
x	4.819	-0.181	0.000
y	-0.181	4.805	0.000
z	0.000	0.000	2.341

<r²>	112.698
(<r²>)^1/2	10.616

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

using model chemistry: B3LYP/3-21G*

States and conformations

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