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	hartrees
Energy at 0K	-304.275215
Energy at 298.15K	-304.280851
HF Energy	-304.275215
Nuclear repulsion energy	181.162527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3817	3665	77.75
2	A'	3789	3638	84.98
3	A'	3037	2916	29.90
4	A'	1862	1787	303.77
5	A'	1498	1438	1.30
6	A'	1484	1425	20.32
7	A'	1375	1320	157.78
8	A'	1300	1248	18.61
9	A'	1201	1153	130.72
10	A'	1151	1105	225.66
11	A'	879	844	42.97
12	A'	661	635	19.75
13	A'	478	459	28.15
14	A'	291	280	7.90
15	A"	3066	2943	20.14
16	A"	1248	1199	0.25
17	A"	1043	1001	2.17
18	A"	666	640	134.54
19	A"	506	486	6.07
20	A"	318	306	80.85
21	A"	78	74	14.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.602	-0.859	0.000
C2	0.000	0.518	0.000
O3	-0.914	1.489	0.000
O4	1.186	0.713	0.000
O5	0.392	-1.833	0.000
H6	-1.247	-0.944	0.881
H7	-1.247	-0.944	-0.881
H8	1.229	-1.354	0.000
H9	-0.437	2.328	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5027	2.3684	2.3807	1.3922	1.0952	1.0952	1.8974	3.1909
C2	1.5027		1.3336	1.2020	2.3832	2.1140	2.1140	2.2393	1.8620
O3	2.3684	1.3336		2.2392	3.5695	2.6090	2.6090	3.5603	0.9647
O4	2.3807	1.2020	2.2392		2.6661	3.0727	3.0727	2.0667	2.2902
O5	1.3922	2.3832	3.5695	2.6661		2.0627	2.0627	0.9643	4.2425
H6	1.0952	2.1140	2.6090	3.0727	2.0627		1.7620	2.6604	3.4837
H7	1.0952	2.1140	2.6090	3.0727	2.0627	1.7620		2.6604	3.4837
H8	1.8974	2.2393	3.5603	2.0667	0.9643	2.6604	2.6604		4.0413
H9	3.1909	1.8620	0.9647	2.2902	4.2425	3.4837	3.4837	4.0413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.105	C1	C2	O4	122.943
C1	O5	H8	105.823	C2	C1	O5	110.765
C2	C1	H6	107.896	C2	C1	H7	107.896
C2	O3	H9	107.125	O3	C2	O4	123.952
O5	C1	H6	111.495	O5	C1	H7	111.495
H6	C1	H7	107.110

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

using model chemistry: B1B95/6-311G**

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	-0.018
2	C	0.283
3	O	-0.318
4	O	-0.357
5	O	-0.398
6	H	0.143
7	H	0.143
8	H	0.253
9	H	0.268

	x	y	z	Total
	-1.242	2.055	0.000	2.401
CHELPG
AIM
ESP

	x	y	z
x	5.265	-0.082	0.000
y	-0.082	5.250	0.000
z	0.000	0.000	3.185

<r²>	109.524
(<r²>)^1/2	10.465

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

using model chemistry: B1B95/6-311G**

States and conformations

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