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	hartrees
Energy at 0K	-304.178295
Energy at 298.15K	-304.183921
HF Energy	-304.178295
Nuclear repulsion energy	180.770379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3749	3559	67.84
2	A'	3721	3533	79.41
3	A'	3050	2895	28.28
4	A'	1879	1784	278.75
5	A'	1528	1450	4.64
6	A'	1512	1435	17.97
7	A'	1397	1326	178.07
8	A'	1321	1254	15.52
9	A'	1215	1153	139.18
10	A'	1164	1105	208.89
11	A'	882	837	41.76
12	A'	657	624	19.87
13	A'	479	455	29.32
14	A'	298	283	6.84
15	A"	3079	2923	24.07
16	A"	1257	1193	0.68
17	A"	1054	1000	1.51
18	A"	681	647	146.37
19	A"	510	484	3.42
20	A"	326	309	83.45
21	A"	72	69	14.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.610	-0.860	0.000
C2	0.000	0.518	0.000
O3	-0.909	1.496	0.000
O4	1.194	0.706	0.000
O5	0.386	-1.832	0.000
H6	-1.258	-0.948	0.881
H7	-1.258	-0.948	-0.881
H8	1.229	-1.349	0.000
H9	-0.419	2.335	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5066	2.3751	2.3883	1.3917	1.0978	1.0978	1.9022	3.2008
C2	1.5066		1.3356	1.2085	2.3818	2.1232	2.1232	2.2353	1.8651
O3	2.3751	1.3356		2.2466	3.5717	2.6215	2.6215	3.5592	0.9716
O4	2.3883	1.2085	2.2466		2.6638	3.0861	3.0861	2.0557	2.2927
O5	1.3917	2.3818	3.5717	2.6638		2.0645	2.0645	0.9712	4.2447
H6	1.0978	2.1232	2.6215	3.0861	2.0645		1.7627	2.6686	3.5013
H7	1.0978	2.1232	2.6215	3.0861	2.0645	1.7627		2.6686	3.5013
H8	1.9022	2.2353	3.5592	2.0557	0.9712	2.6686	2.6686		4.0364
H9	3.2008	1.8651	0.9716	2.2927	4.2447	3.5013	3.5013	4.0364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.236	C1	C2	O4	122.815
C1	O5	H8	105.848	C2	C1	O5	110.469
C2	C1	H6	108.198	C2	C1	H7	108.198
C2	O3	H9	106.818	O3	C2	O4	123.949
O5	C1	H6	111.506	O5	C1	H7	111.506
H6	C1	H7	106.801

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

using model chemistry: B1B95/6-31G*

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	-0.101
2	C	0.534
3	O	-0.565
4	O	-0.471
5	O	-0.635
6	H	0.189
7	H	0.189
8	H	0.427
9	H	0.433

	x	y	z	Total
	-1.156	2.151	0.000	2.442
CHELPG
AIM
ESP

	x	y	z
x	5.092	-0.098	0.000
y	-0.098	5.010	0.000
z	0.000	0.000	2.959

<r²>	109.614
(<r²>)^1/2	10.470

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

using model chemistry: B1B95/6-31G*

States and conformations

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