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	hartrees
Energy at 0K	-301.509594
Energy at 298.15K	-301.515113
HF Energy	-300.958852
Nuclear repulsion energy	176.731157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3544	3390	21.86
2	A'	3509	3356	17.29
3	A'	3050	2917	15.14
4	A'	1809	1730	143.31
5	A'	1590	1521	9.00
6	A'	1502	1437	41.89
7	A'	1410	1349	83.44
8	A'	1344	1285	36.69
9	A'	1145	1095	228.68
10	A'	1044	999	114.52
11	A'	844	808	35.08
12	A'	648	620	21.82
13	A'	465	445	28.91
14	A'	279	267	7.28
15	A"	3077	2943	22.63
16	A"	1247	1192	1.51
17	A"	1093	1046	0.68
18	A"	642	614	181.36
19	A"	519	496	18.34
20	A"	302	289	88.73
21	A"	64	61	26.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.619	-0.870	0.000
C2	0.000	0.524	0.000
O3	-0.962	1.506	0.000
O4	1.209	0.739	0.000
O5	0.435	-1.873	0.000
H6	-1.257	-0.964	0.890
H7	-1.257	-0.964	-0.890
H8	1.291	-1.368	0.000
H9	-0.525	2.397	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5247	2.4002	2.4354	1.4554	1.0990	1.0990	1.9736	3.2684
C2	1.5247		1.3746	1.2283	2.4362	2.1409	2.1409	2.2902	1.9458
O3	2.4002	1.3746		2.3025	3.6565	2.6413	2.6413	3.6515	0.9928
O4	2.4354	1.2283	2.3025		2.7249	3.1262	3.1262	2.1089	2.3994
O5	1.4554	2.4362	3.6565	2.7249		2.1172	2.1172	0.9937	4.3773
H6	1.0990	2.1409	2.6413	3.1262	2.1172		1.7800	2.7288	3.5528
H7	1.0990	2.1409	2.6413	3.1262	2.1172	1.7800		2.7288	3.5528
H8	1.9736	2.2902	3.6515	2.1089	0.9937	2.7288	2.7288		4.1804
H9	3.2684	1.9458	0.9928	2.3994	4.3773	3.5528	3.5528	4.1804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.649	C1	C2	O4	124.053
C1	O5	H8	105.841	C2	C1	O5	109.649
C2	C1	H6	108.276	C2	C1	H7	108.276
C2	O3	H9	109.497	O3	C2	O4	124.298
O5	C1	H6	111.195	O5	C1	H7	111.195
H6	C1	H7	108.151

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

using model chemistry: CCD/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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All results from a given calculation for HOCH2COOH (Hydroxyacetic acid)

using model chemistry: CCD/3-21G*

States and conformations

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