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	hartrees
Energy at 0K	-302.513708
Energy at 298.15K	-302.519283
HF Energy	-302.513708
Nuclear repulsion energy	179.735065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3990	3603	116.77
2	A'	3989	3602	83.77
3	A'	3243	2928	12.97
4	A'	1914	1728	332.60
5	A'	1660	1499	15.58
6	A'	1591	1437	7.60
7	A'	1466	1324	117.49
8	A'	1394	1258	77.89
9	A'	1260	1138	164.87
10	A'	1172	1058	241.43
11	A'	935	844	45.93
12	A'	694	626	31.18
13	A'	503	454	33.36
14	A'	298	269	8.44
15	A"	3288	2968	14.26
16	A"	1364	1232	0.05
17	A"	1154	1042	3.67
18	A"	693	626	265.99
19	A"	558	504	24.07
20	A"	248	223	130.90
21	A"	22	20	67.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.597	-0.854	0.000
C2	0.000	0.520	0.000
O3	-0.933	1.485	0.000
O4	1.190	0.746	0.000
O5	0.407	-1.850	0.000
H6	-1.223	-0.962	0.875
H7	-1.223	-0.962	-0.875
H8	1.292	-1.494	0.000
H9	-0.586	2.374	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.4974	2.3627	2.3984	1.4140	1.0809	1.0809	1.9943	3.2279
C2	1.4974		1.3424	1.2118	2.4041	2.1104	2.1104	2.3924	1.9447
O3	2.3627	1.3424		2.2482	3.5938	2.6143	2.6143	3.7179	0.9547
O4	2.3984	1.2118	2.2482		2.7113	3.0828	3.0828	2.2419	2.4094
O5	1.4140	2.4041	3.5938	2.7113		2.0517	2.0517	0.9541	4.3389
H6	1.0809	2.1104	2.6143	3.0828	2.0517		1.7491	2.7153	3.5069
H7	1.0809	2.1104	2.6143	3.0828	2.0517	1.7491		2.7153	3.5069
H8	1.9943	2.3924	3.7179	2.2419	0.9541	2.7153	2.7153		4.2995
H9	3.2279	1.9447	0.9547	2.4094	4.3389	3.5069	3.5069	4.2995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.497	C1	C2	O4	124.240
C1	O5	H8	113.306	C2	C1	O5	111.299
C2	C1	H6	108.804	C2	C1	H7	108.804
C2	O3	H9	114.636	O3	C2	O4	123.263
O5	C1	H6	109.927	O5	C1	H7	109.927
H6	C1	H7	108.007

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

using model chemistry: HF/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	0.014
2	C	0.691
3	O	-0.719
4	O	-0.555
5	O	-0.755
6	H	0.217
7	H	0.217
8	H	0.440
9	H	0.450

	x	y	z	Total
	-1.455	2.246	0.000	2.676
CHELPG
AIM
ESP

	x	y	z
x	4.793	-0.106	0.000
y	-0.106	4.128	0.000
z	0.000	0.000	2.445

<r²>	112.240
(<r²>)^1/2	10.594

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

using model chemistry: HF/6-31G

States and conformations

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