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	hartrees
Energy at 0K	-304.254062
Energy at 298.15K	-304.259445
HF Energy	-304.254062
Nuclear repulsion energy	177.315006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3595	3576	48.61
2	A'	3581	3562	66.74
3	A'	2941	2925	32.53
4	A'	1723	1714	281.91
5	A'	1450	1442	10.57
6	A'	1405	1397	15.10
7	A'	1290	1283	105.79
8	A'	1241	1235	27.31
9	A'	1116	1110	126.69
10	A'	1047	1042	239.83
11	A'	818	814	37.08
12	A'	615	612	12.57
13	A'	451	448	25.00
14	A'	267	266	9.13
15	A"	2964	2948	14.17
16	A"	1207	1200	0.92
17	A"	997	992	0.75
18	A"	631	628	122.35
19	A"	488	485	7.14
20	A"	301	299	84.99
21	A"	57	57	17.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.602	-0.874	0.000
C2	0.000	0.529	0.000
O3	-0.952	1.508	0.000
O4	1.208	0.751	0.000
O5	0.410	-1.876	0.000
H6	-1.250	-0.978	0.891
H7	-1.250	-0.978	-0.891
H8	1.274	-1.408	0.000
H9	-0.482	2.372	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5272	2.4076	2.4326	1.4240	1.1067	1.1067	1.9501	3.2487
C2	1.5272		1.3654	1.2278	2.4403	2.1511	2.1511	2.3184	1.9050
O3	2.4076	1.3654		2.2884	3.6479	2.6571	2.6571	3.6683	0.9839
O4	2.4326	1.2278	2.2884		2.7463	3.1341	3.1341	2.1605	2.3415
O5	1.4240	2.4403	3.6479	2.7463		2.0871	2.0871	0.9827	4.3412
H6	1.1067	2.1511	2.6571	3.1341	2.0871		1.7826	2.7106	3.5503
H7	1.1067	2.1511	2.6571	3.1341	2.0871	1.7826		2.7106	3.5503
H8	1.9501	2.3184	3.6683	2.1605	0.9827	2.7106	2.7106		4.1682
H9	3.2487	1.9050	0.9839	2.3415	4.3412	3.5503	3.5503	4.1682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.563	C1	C2	O4	123.642
C1	O5	H8	106.810	C2	C1	O5	111.511
C2	C1	H6	108.458	C2	C1	H7	108.458
C2	O3	H9	107.253	O3	C2	O4	123.795
O5	C1	H6	110.496	O5	C1	H7	110.496
H6	C1	H7	107.293

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

using model chemistry: BLYP/6-31+G**

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	-0.090
2	C	0.372
3	O	-0.393
4	O	-0.453
5	O	-0.476
6	H	0.165
7	H	0.165
8	H	0.351
9	H	0.358

	x	y	z	Total
	-1.344	1.997	0.000	2.407
CHELPG
AIM
ESP

	x	y	z
x	6.411	-0.160	0.000
y	-0.160	6.601	0.000
z	0.000	0.000	4.139

<r²>	114.587
(<r²>)^1/2	10.705

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

using model chemistry: BLYP/6-31+G**

States and conformations

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