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	hartrees
Energy at 0K	-303.466534
Energy at 298.15K
HF Energy	-302.652624
Nuclear repulsion energy	179.213111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3726	3548	58.30
2	A'	3708	3531	73.96
3	A'	3059	2913	23.48
4	A'	1862	1774	250.38
5	A'	1557	1482	5.23
6	A'	1530	1457	11.32
7	A'	1406	1339	145.19
8	A'	1338	1274	28.22
9	A'	1221	1163	161.11
10	A'	1146	1091	194.74
11	A'	887	845	33.83
12	A'	657	625	22.14
13	A'	479	456	27.72
14	A'	292	278	6.90
15	A"	3093	2945	22.80
16	A"	1269	1208	0.60
17	A"	1073	1022	0.89
18	A"	673	641	157.02
19	A"	513	488	5.47
20	A"	271	258	76.76
21	A"	53i	51i	30.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.601	-0.867	0.000
C2	0.000	0.523	0.000
O3	-0.941	1.488	0.000
O4	1.197	0.741	0.000
O5	0.408	-1.851	0.000
H6	-1.245	-0.964	0.886
H7	-1.245	-0.964	-0.886
H8	1.258	-1.375	0.000
H9	-0.466	2.343	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5140	2.3797	2.4121	1.4093	1.1001	1.1001	1.9272	3.2130
C2	1.5140		1.3485	1.2165	2.4088	2.1323	2.1323	2.2767	1.8793
O3	2.3797	1.3485		2.2647	3.6018	2.6252	2.6252	3.6104	0.9780
O4	2.4121	1.2165	2.2647		2.7102	3.1077	3.1077	2.1171	2.3090
O5	1.4093	2.4088	3.6018	2.7102		2.0749	2.0749	0.9750	4.2846
H6	1.1001	2.1323	2.6252	3.1077	2.0749		1.7724	2.6874	3.5114
H7	1.1001	2.1323	2.6252	3.1077	2.0749	1.7724		2.6874	3.5114
H8	1.9272	2.2767	3.6104	2.1171	0.9750	2.6874	2.6874		4.0984
H9	3.2130	1.8793	0.9780	2.3090	4.2846	3.5114	3.5114	4.0984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.347	C1	C2	O4	123.742
C1	O5	H8	106.431	C2	C1	O5	110.923
C2	C1	H6	108.271	C2	C1	H7	108.271
C2	O3	H9	106.676	O3	C2	O4	123.911
O5	C1	H6	110.956	O5	C1	H7	110.956
H6	C1	H7	107.332

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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