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	hartrees
Energy at 0K	-303.859713
Energy at 298.15K	-303.865124
HF Energy	-303.859713
Nuclear repulsion energy	176.455365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3424	22.77
2	A'	3419	3372	28.18
3	A'	2966	2925	22.88
4	A'	1684	1661	181.11
5	A'	1485	1465	13.20
6	A'	1425	1405	30.34
7	A'	1327	1309	117.30
8	A'	1269	1251	29.62
9	A'	1099	1084	125.22
10	A'	1024	1009	201.03
11	A'	843	832	42.28
12	A'	615	607	11.34
13	A'	454	448	32.53
14	A'	275	271	9.46
15	A"	2995	2954	20.56
16	A"	1194	1177	3.00
17	A"	1023	1009	0.99
18	A"	652	643	174.51
19	A"	502	495	5.61
20	A"	294	290	102.55
21	A"	55	54	26.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.625	-0.857	0.000
C2	0.000	0.519	0.000
O3	-0.936	1.530	0.000
O4	1.232	0.715	0.000
O5	0.392	-1.877	0.000
H6	-1.276	-0.954	0.890
H7	-1.276	-0.954	-0.890
H8	1.272	-1.412	0.000
H9	-0.476	2.410	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5114	2.4070	2.4336	1.4404	1.1074	1.1074	1.9767	3.2711
C2	1.5114		1.3775	1.2480	2.4281	2.1429	2.1429	2.3127	1.9506
O3	2.4070	1.3775		2.3163	3.6565	2.6605	2.6605	3.6785	0.9936
O4	2.4336	1.2480	2.3163		2.7254	3.1421	3.1421	2.1280	2.4071
O5	1.4404	2.4281	3.6565	2.7254		2.1041	2.1041	0.9955	4.3749
H6	1.1074	2.1429	2.6605	3.1421	2.1041		1.7810	2.7379	3.5713
H7	1.1074	2.1429	2.6605	3.1421	2.1041	1.7810		2.7379	3.5713
H8	1.9767	2.3127	3.6785	2.1280	0.9955	2.7379	2.7379		4.2038
H9	3.2711	1.9506	0.9936	2.4071	4.3749	3.5713	3.5713	4.2038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.770	C1	C2	O4	123.473
C1	O5	H8	107.066	C2	C1	O5	110.667
C2	C1	H6	108.842	C2	C1	H7	108.842
C2	O3	H9	109.647	O3	C2	O4	123.757
O5	C1	H6	110.670	O5	C1	H7	110.670
H6	C1	H7	107.052

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.085
2	C	0.382
3	O	-0.501
4	O	-0.382
5	O	-0.576
6	H	0.198
7	H	0.198
8	H	0.374
9	H	0.390

	x	y	z	Total
	-1.104	2.415	0.000	2.655
CHELPG
AIM
ESP

	x	y	z
x	5.473	-0.216	0.000
y	-0.216	5.518	0.000
z	0.000	0.000	2.686

<r²>	114.483
(<r²>)^1/2	10.700

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

using model chemistry: PBEPBE/6-31G

States and conformations

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