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	hartrees
Energy at 0K	-303.601616
Energy at 298.15K
HF Energy	-302.729970
Nuclear repulsion energy	179.803874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3814	3652	40.03
2	A'	3798	3637	52.84
3	A'	3046	2916	27.40
4	A'	1858	1779	278.21
5	A'	1534	1469	7.59
6	A'	1521	1457	10.74
7	A'	1401	1341	111.05
8	A'	1333	1276	52.13
9	A'	1228	1176	169.99
10	A'	1152	1103	202.66
11	A'	884	846	35.71
12	A'	663	634	22.43
13	A'	482	461	27.09
14	A'	290	278	7.32
15	A"	3079	2948	22.83
16	A"	1270	1215	0.30
17	A"	1066	1021	1.32
18	A"	676	648	158.60
19	A"	514	492	9.02
20	A"	231	222	67.98
21	A"	102i	98i	51.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.591	-0.870	0.000
C2	0.000	0.526	0.000
O3	-0.946	1.477	0.000
O4	1.186	0.753	0.000
O5	0.416	-1.848	0.000
H6	-1.232	-0.970	0.886
H7	-1.232	-0.970	-0.886
H8	1.262	-1.389	0.000
H9	-0.498	2.333	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5152	2.3739	2.4061	1.4037	1.0988	1.0988	1.9242	3.2038
C2	1.5152		1.3420	1.2073	2.4097	2.1307	2.1307	2.2933	1.8745
O3	2.3739	1.3420		2.2514	3.5934	2.6182	2.6182	3.6184	0.9654
O4	2.4061	1.2073	2.2514		2.7125	3.0985	3.0985	2.1437	2.3089
O5	1.4037	2.4097	3.5934	2.7125		2.0675	2.0675	0.9624	4.2794
H6	1.0988	2.1307	2.6182	3.0985	2.0675		1.7726	2.6804	3.4970
H7	1.0988	2.1307	2.6182	3.0985	2.0675	1.7726		2.6804	3.4970
H8	1.9242	2.2933	3.6184	2.1437	0.9624	2.6804	2.6804		4.1172
H9	3.2038	1.8745	0.9654	2.3089	4.2794	3.4970	3.4970	4.1172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.227	C1	C2	O4	123.810
C1	O5	H8	107.358	C2	C1	O5	111.229
C2	C1	H6	108.139	C2	C1	H7	108.139
C2	O3	H9	107.545	O3	C2	O4	123.963
O5	C1	H6	110.832	O5	C1	H7	110.832
H6	C1	H7	107.532

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

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

using model chemistry: QCISD/6-311G*

States and conformations

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