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	hartrees
Energy at 0K	-304.254053
Energy at 298.15K	-304.259440
HF Energy	-304.254053
Nuclear repulsion energy	176.229154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3650	3508	48.77
2	A'	3635	3494	31.80
3	A'	3068	2949	30.43
4	A'	1708	1642	243.22
5	A'	1505	1447	22.55
6	A'	1449	1392	14.31
7	A'	1328	1277	93.31
8	A'	1284	1234	57.35
9	A'	1117	1074	115.28
10	A'	1046	1006	250.33
11	A'	851	818	40.66
12	A'	620	596	13.48
13	A'	452	434	34.56
14	A'	262	252	9.89
15	A"	3113	2992	19.39
16	A"	1229	1181	1.01
17	A"	1053	1012	2.24
18	A"	642	617	202.44
19	A"	507	487	12.12
20	A"	279	268	129.01
21	A"	56	54	31.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.608	-0.867	0.000
C2	0.000	0.526	0.000
O3	-0.960	1.512	0.000
O4	1.220	0.754	0.000
O5	0.414	-1.885	0.000
H6	-1.244	-0.973	0.888
H7	-1.244	-0.973	-0.888
H8	1.304	-1.465	0.000
H9	-0.560	2.412	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5193	2.4049	2.4432	1.4423	1.0979	1.0979	2.0030	3.2789
C2	1.5193		1.3765	1.2413	2.4461	2.1406	2.1406	2.3798	1.9673
O3	2.4049	1.3765		2.3080	3.6645	2.6540	2.6540	3.7402	0.9847
O4	2.4432	1.2413	2.3080		2.7600	3.1376	3.1376	2.2211	2.4319
O5	1.4423	2.4461	3.6645	2.7600		2.0906	2.0906	0.9843	4.4057
H6	1.0979	2.1406	2.6540	3.1376	2.0906		1.7766	2.7431	3.5653
H7	1.0979	2.1406	2.6540	3.1376	2.0906	1.7766		2.7431	3.5653
H8	2.0030	2.3798	3.7402	2.2211	0.9843	2.7431	2.7431		4.3014
H9	3.2789	1.9673	0.9847	2.4319	4.4057	3.5653	3.5653	4.3014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.200	C1	C2	O4	124.194
C1	O5	H8	109.823	C2	C1	O5	111.337
C2	C1	H6	108.676	C2	C1	H7	108.676
C2	O3	H9	111.786	O3	C2	O4	123.606
O5	C1	H6	110.032	O5	C1	H7	110.032
H6	C1	H7	108.008

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

using model chemistry: B3LYP/SDD

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	-0.273
2	C	0.229
3	O	-0.431
4	O	-0.281
5	O	-0.478
6	H	0.233
7	H	0.233
8	H	0.372
9	H	0.397

	x	y	z	Total
	-1.309	2.350	0.000	2.690
CHELPG
AIM
ESP

	x	y	z
x	5.292	-0.154	0.000
y	-0.154	5.139	0.000
z	0.000	0.000	2.748

<r²>	115.542
(<r²>)^1/2	10.749

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

using model chemistry: B3LYP/SDD

States and conformations

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