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	hartrees
Energy at 0K	-229.005242
Energy at 298.15K	-229.010064
Nuclear repulsion energy	121.344126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3800	3628	51.74
2	A'	3216	3070	3.98
3	A'	3088	2949	1.13
4	A'	1885	1800	297.12
5	A'	1476	1410	13.54
6	A'	1426	1362	101.93
7	A'	1355	1294	19.15
8	A'	1224	1168	204.46
9	A'	1000	955	43.43
10	A'	881	841	3.03
11	A'	583	556	45.91
12	A'	416	397	4.46
13	A"	3165	3022	3.35
14	A"	1482	1415	9.29
15	A"	1064	1015	10.51
16	A"	689	658	109.19
17	A"	545	520	19.74
18	A"	80	76	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	1.052	-0.915	0.000
C2	0.000	0.154	0.000
O3	0.196	1.344	0.000
H4	2.036	-0.455	0.000
H5	0.934	-1.551	0.879
H6	0.934	-1.551	-0.879
O7	-1.242	-0.376	0.000
H8	-1.849	0.379	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4992	2.4159	1.0869	1.0917	1.0917	2.3557	3.1759
C2	1.4992		1.2067	2.1254	2.1335	2.1335	1.3498	1.8625
O3	2.4159	1.2067		2.5740	3.1147	3.1147	2.2417	2.2610
H4	1.0869	2.1254	2.5740		1.7858	1.7858	3.2789	3.9737
H5	1.0917	2.1335	3.1147	1.7858		1.7588	2.6246	3.4991
H6	1.0917	2.1335	3.1147	1.7858	1.7588		2.6246	3.4991
O7	2.3557	1.3498	2.2417	3.2789	2.6246	2.6246		0.9688
H8	3.1759	1.8625	2.2610	3.9737	3.4991	3.4991	0.9688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.119	C1	C2	O7	111.446
C2	C1	H4	109.514	C2	C1	H5	109.869
C2	C1	H6	109.869	C2	O7	H8	105.718
O3	C2	O7	122.434	H4	C1	H5	110.118
H4	C1	H6	110.118	H5	C1	H6	107.326

All results from a given calculation for CH₃COOH (Acetic 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	-0.426
2	C	0.543
3	O	-0.455
4	H	0.162
5	H	0.162
6	H	0.162
7	O	-0.481
8	H	0.333

	x	y	z	Total
	-0.421	-1.557	0.000	1.612
CHELPG
AIM
ESP

All results from a given calculation for CH3COOH (Acetic acid)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for CH₃COOH (Acetic acid)