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	hartrees
Energy at 0K	-302.595614
Energy at 298.15K	-302.601241
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	3347	21.40
2	A'	3391	3272	30.93
3	A'	3026	2920	22.52
4	A'	1762	1700	155.92
5	A'	1555	1501	11.42
6	A'	1482	1430	59.43
7	A'	1381	1332	90.45
8	A'	1323	1277	35.10
9	A'	1125	1085	194.18
10	A'	1044	1007	135.01
11	A'	836	807	41.05
12	A'	637	615	16.16
13	A'	461	445	30.48
14	A'	273	263	9.73
15	A"	3043	2936	27.11
16	A"	1234	1191	2.61
17	A"	1072	1034	1.52
18	A"	664	641	168.39
19	A"	518	500	9.31
20	A"	358	345	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)