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	hartrees
Energy at 0K	-303.520110
Energy at 298.15K	-303.525727
HF Energy	-302.687207
Nuclear repulsion energy	179.628837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3584	46.84
2	A'	3769	3582	119.62
3	A'	3077	2924	30.33
4	A'	1845	1754	231.12
5	A'	1508	1433	3.08
6	A'	1500	1426	12.12
7	A'	1384	1315	149.06
8	A'	1309	1244	14.01
9	A'	1201	1142	127.78
10	A'	1147	1090	220.75
11	A'	884	840	32.17
12	A'	657	625	19.01
13	A'	478	455	26.39
14	A'	282	268	9.33
15	A"	3122	2967	23.89
16	A"	1259	1197	0.27
17	A"	1051	999	0.67
18	A"	666	633	124.74
19	A"	514	489	6.93
20	A"	315	299	66.51
21	A"	72	68	13.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.603	-0.867	0.000
C2	0.000	0.522	0.000
O3	-0.936	1.491	0.000
O4	1.199	0.727	0.000
O5	0.403	-1.845	0.000
H6	-1.255	-0.952	0.888
H7	-1.255	-0.952	-0.888
H8	1.231	-1.336	0.000
H9	-0.440	2.330	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5139	2.3810	2.4054	1.4032	1.1052	1.1052	1.8928	3.2004
C2	1.5139		1.3469	1.2168	2.4013	2.1299	2.1299	2.2293	1.8603
O3	2.3810	1.3469		2.2679	3.5946	2.6187	2.6187	3.5621	0.9740
O4	2.4054	1.2168	2.2679		2.6921	3.1033	3.1033	2.0632	2.2933
O5	1.4032	2.4013	3.5946	2.6921		2.0824	2.0824	0.9716	4.2590
H6	1.1052	2.1299	2.6187	3.1033	2.0824		1.7757	2.6679	3.4957
H7	1.1052	2.1299	2.6187	3.1033	2.0824	1.7757		2.6679	3.4957
H8	1.8928	2.2293	3.5621	2.0632	0.9716	2.6679	2.6679		4.0291
H9	3.2004	1.8603	0.9740	2.2933	4.2590	3.4957	3.4957	4.0291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.538	C1	C2	O4	123.128
C1	O5	H8	104.226	C2	C1	O5	110.750
C2	C1	H6	107.802	C2	C1	H7	107.802
C2	O3	H9	105.430	O3	C2	O4	124.333
O5	C1	H6	111.688	O5	C1	H7	111.688
H6	C1	H7	106.904

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

using model chemistry: MP2=FULL/cc-pVDZ

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: MP2=FULL/cc-pVDZ

States and conformations

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