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	hartrees
Energy at 0K	-304.269057
Energy at 298.15K	-304.274656
HF Energy	-304.269057
Nuclear repulsion energy	180.473073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3646	72.21
2	A'	3757	3618	80.85
3	A'	3015	2904	30.51
4	A'	1838	1770	295.49
5	A'	1490	1435	2.86
6	A'	1472	1418	20.15
7	A'	1365	1314	139.89
8	A'	1294	1246	24.57
9	A'	1190	1146	129.27
10	A'	1134	1092	232.49
11	A'	869	837	43.43
12	A'	657	633	18.26
13	A'	476	458	27.12
14	A'	283	272	9.43
15	A"	3041	2929	20.22
16	A"	1244	1198	0.32
17	A"	1038	999	2.21
18	A"	662	638	132.25
19	A"	505	487	6.50
20	A"	315	303	80.42
21	A"	74	71	15.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.600	-0.862	0.000
C2	0.000	0.521	0.000
O3	-0.923	1.491	0.000
O4	1.189	0.723	0.000
O5	0.397	-1.842	0.000
H6	-1.247	-0.950	0.883
H7	-1.247	-0.950	-0.883
H8	1.237	-1.363	0.000
H9	-0.448	2.334	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5078	2.3757	2.3898	1.3971	1.0984	1.0984	1.9035	3.2002
C2	1.5078		1.3388	1.2057	2.3955	2.1211	2.1211	2.2532	1.8676
O3	2.3757	1.3388		2.2468	3.5843	2.6162	2.6162	3.5786	0.9675
O4	2.3898	1.2057	2.2468		2.6836	3.0841	3.0841	2.0856	2.2967
O5	1.3971	2.3955	3.5843	2.6836		2.0683	2.0683	0.9669	4.2602
H6	1.0984	2.1211	2.6162	3.0841	2.0683		1.7660	2.6685	3.4935
H7	1.0984	2.1211	2.6162	3.0841	2.0683	1.7660		2.6685	3.4935
H8	1.9035	2.2532	3.5786	2.0856	0.9669	2.6685	2.6685		4.0623
H9	3.2002	1.8676	0.9675	2.2967	4.2602	3.4935	3.4935	4.0623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.003	C1	C2	O4	123.068
C1	O5	H8	105.817	C2	C1	O5	111.048
C2	C1	H6	107.913	C2	C1	H7	107.913
C2	O3	H9	107.050	O3	C2	O4	123.928
O5	C1	H6	111.389	O5	C1	H7	111.389
H6	C1	H7	107.001

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

using model chemistry: B3PW91/6-311G**

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	-0.005
2	C	0.282
3	O	-0.317
4	O	-0.359
5	O	-0.399
6	H	0.141
7	H	0.141
8	H	0.251
9	H	0.265

	x	y	z	Total
	-1.250	2.045	0.000	2.397
CHELPG
AIM
ESP

	x	y	z
x	5.317	-0.090	0.000
y	-0.090	5.336	0.000
z	0.000	0.000	3.204

<r²>	110.330
(<r²>)^1/2	10.504

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

using model chemistry: B3PW91/6-311G**

States and conformations

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