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	hartrees
Energy at 0K	-304.101657
Energy at 298.15K	-304.107198
HF Energy	-304.101657
Nuclear repulsion energy	178.332246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3677	3481	52.66
2	A'	3642	3447	41.70
3	A'	3080	2916	17.39
4	A'	1774	1679	227.18
5	A'	1540	1458	16.61
6	A'	1483	1404	17.07
7	A'	1378	1305	131.20
8	A'	1317	1247	41.60
9	A'	1160	1098	131.66
10	A'	1087	1029	216.51
11	A'	883	836	47.50
12	A'	646	612	17.03
13	A'	474	449	33.65
14	A'	282	267	9.29
15	A"	3119	2953	14.99
16	A"	1251	1184	1.43
17	A"	1066	1009	2.06
18	A"	668	633	204.83
19	A"	525	497	9.78
20	A"	290	275	121.36
21	A"	62	59	32.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.617	-0.851	0.000
C2	0.000	0.516	0.000
O3	-0.924	1.511	0.000
O4	1.216	0.715	0.000
O5	0.390	-1.858	0.000
H6	-1.259	-0.950	0.883
H7	-1.259	-0.950	-0.883
H8	1.270	-1.432	0.000
H9	-0.502	2.393	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5000	2.3820	2.4110	1.4248	1.0954	1.0954	1.9753	3.2457
C2	1.5000		1.3581	1.2322	2.4066	2.1242	2.1242	2.3258	1.9425
O3	2.3820	1.3581		2.2837	3.6170	2.6360	2.6360	3.6715	0.9776
O4	2.4110	1.2322	2.2837		2.7028	3.1103	3.1103	2.1475	2.4013
O5	1.4248	2.4066	3.6170	2.7028		2.0789	2.0789	0.9785	4.3438
H6	1.0954	2.1242	2.6360	3.1103	2.0789		1.7653	2.7216	3.5391
H7	1.0954	2.1242	2.6360	3.1103	2.0789	1.7653		2.7216	3.5391
H8	1.9753	2.3258	3.6715	2.1475	0.9785	2.7216	2.7216		4.2154
H9	3.2457	1.9425	0.9776	2.4013	4.3438	3.5391	3.5391	4.2154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.809	C1	C2	O4	123.580
C1	O5	H8	109.139	C2	C1	O5	110.710
C2	C1	H6	108.860	C2	C1	H7	108.860
C2	O3	H9	111.500	O3	C2	O4	123.610
O5	C1	H6	110.476	O5	C1	H7	110.476
H6	C1	H7	107.374

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

using model chemistry: mPW1PW91/6-31G

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	-0.080
2	C	0.462
3	O	-0.566
4	O	-0.431
5	O	-0.632
6	H	0.216
7	H	0.216
8	H	0.400
9	H	0.414

	x	y	z	Total
	-1.204	2.415	0.000	2.699
CHELPG
AIM
ESP

	x	y	z
x	5.180	-0.183	0.000
y	-0.183	4.902	0.000
z	0.000	0.000	2.586

<r²>	112.666
(<r²>)^1/2	10.614

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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