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	hartrees
Energy at 0K	-304.070505
Energy at 298.15K	-304.076034
HF Energy	-304.070505
Nuclear repulsion energy	178.580488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3675	3505	53.24
2	A'	3637	3469	42.83
3	A'	3080	2937	17.07
4	A'	1777	1695	227.68
5	A'	1538	1467	15.57
6	A'	1479	1410	17.73
7	A'	1375	1311	134.25
8	A'	1311	1250	40.89
9	A'	1156	1102	128.53
10	A'	1086	1036	215.99
11	A'	882	841	48.64
12	A'	644	614	17.39
13	A'	471	449	34.66
14	A'	280	267	8.83
15	A"	3119	2974	14.97
16	A"	1246	1188	1.44
17	A"	1065	1015	1.93
18	A"	667	636	205.05
19	A"	523	499	9.97
20	A"	289	276	120.82
21	A"	62	59	32.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.620	-0.849	0.000
C2	0.000	0.515	0.000
O3	-0.919	1.513	0.000
O4	1.216	0.708	0.000
O5	0.387	-1.854	0.000
H6	-1.261	-0.946	0.882
H7	-1.261	-0.946	-0.882
H8	1.267	-1.427	0.000
H9	-0.495	2.393	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.4982	2.3803	2.4071	1.4234	1.0942	1.0942	1.9738	3.2442
C2	1.4982		1.3565	1.2309	2.4007	2.1219	2.1219	2.3184	1.9421
O3	2.3803	1.3565		2.2813	3.6115	2.6346	2.6346	3.6631	0.9771
O4	2.4071	1.2309	2.2813		2.6928	3.1058	3.1058	2.1351	2.4011
O5	1.4234	2.4007	3.6115	2.6928		2.0778	2.0778	0.9783	4.3379
H6	1.0942	2.1219	2.6346	3.1058	2.0778		1.7640	2.7198	3.5377
H7	1.0942	2.1219	2.6346	3.1058	2.0778	1.7640		2.7198	3.5377
H8	1.9738	2.3184	3.6631	2.1351	0.9783	2.7198	2.7198		4.2063
H9	3.2442	1.9421	0.9771	2.4011	4.3379	3.5377	3.5377	4.2063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.895	C1	C2	O4	123.476
C1	O5	H8	109.130	C2	C1	O5	110.487
C2	C1	H6	108.867	C2	C1	H7	108.867
C2	O3	H9	111.624	O3	C2	O4	123.629
O5	C1	H6	110.561	O5	C1	H7	110.561
H6	C1	H7	107.417

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

using model chemistry: B1B95/6-31G

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	-0.062
2	C	0.443
3	O	-0.559
4	O	-0.421
5	O	-0.627
6	H	0.209
7	H	0.209
8	H	0.397
9	H	0.411

	x	y	z	Total
	-1.185	2.433	0.000	2.706
CHELPG
AIM
ESP

	x	y	z
x	5.175	-0.183	0.000
y	-0.183	4.895	0.000
z	0.000	0.000	2.582

<r²>	112.329
(<r²>)^1/2	10.599

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

using model chemistry: B1B95/6-31G

States and conformations

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