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	hartrees
Energy at 0K	-302.697418
Energy at 298.15K	-302.703199
HF Energy	-302.697418
Nuclear repulsion energy	182.207844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4125	3736	94.35
2	A'	4115	3726	121.54
3	A'	3177	2877	30.68
4	A'	2014	1824	376.58
5	A'	1626	1472	7.23
6	A'	1618	1465	1.22
7	A'	1474	1335	152.75
8	A'	1408	1275	50.49
9	A'	1307	1183	163.66
10	A'	1240	1122	228.42
11	A'	932	844	39.14
12	A'	712	645	29.48
13	A'	511	463	24.10
14	A'	304	275	8.25
15	A"	3209	2905	28.01
16	A"	1366	1237	0.16
17	A"	1144	1036	3.08
18	A"	705	638	144.85
19	A"	549	497	16.28
20	A"	292	264	83.82
21	A"	81	73	17.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.578	-0.869	0.000
C2	0.000	0.525	0.000
O3	-0.933	1.459	0.000
O4	1.161	0.753	0.000
O5	0.417	-1.827	0.000
H6	-1.216	-0.965	0.875
H7	-1.216	-0.965	-0.875
H8	1.253	-1.388	0.000
H9	-0.514	2.307	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5089	2.3543	2.3777	1.3812	1.0873	1.0873	1.9030	3.1764
C2	1.5089		1.3197	1.1831	2.3886	2.1132	2.1132	2.2869	1.8545
O3	2.3543	1.3197		2.2094	3.5519	2.5926	2.5926	3.5890	0.9461
O4	2.3777	1.1831	2.2094		2.6849	3.0608	3.0608	2.1431	2.2846
O5	1.3812	2.3886	3.5519	2.6849		2.0433	2.0433	0.9440	4.2373
H6	1.0873	2.1132	2.5926	3.0608	2.0433		1.7501	2.6533	3.4592
H7	1.0873	2.1132	2.5926	3.0608	2.0433	1.7501		2.6533	3.4592
H8	1.9030	2.2869	3.5890	2.1431	0.9440	2.6533	2.6533		4.0957
H9	3.1764	1.8545	0.9461	2.2846	4.2373	3.4592	3.4592	4.0957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.503	C1	C2	O4	123.627
C1	O5	H8	108.386	C2	C1	O5	111.398
C2	C1	H6	107.866	C2	C1	H7	107.866
C2	O3	H9	108.741	O3	C2	O4	123.870
O5	C1	H6	111.174	O5	C1	H7	111.174
H6	C1	H7	107.176

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

using model chemistry: HF/6-31G(2df,p)

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	-0.032
2	C	0.551
3	O	-0.500
4	O	-0.464
5	O	-0.572
6	H	0.153
7	H	0.153
8	H	0.355
9	H	0.355

	x	y	z	Total
	-1.386	1.815	0.000	2.284
CHELPG
AIM
ESP

	x	y	z
x	4.865	-0.040	0.000
y	-0.040	4.723	0.000
z	0.000	0.000	3.268

<r²>	108.958
(<r²>)^1/2	10.438

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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