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	hartrees
Energy at 0K	-228.157131
Energy at 298.15K	-228.161845
HF Energy	-227.737636
Nuclear repulsion energy	117.414290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3614	3481	40.82
2	A'	3189	3072	10.69
3	A'	3055	2942	4.96
4	A'	1676	1614	194.22
5	A'	1522	1466	28.81
6	A'	1462	1408	31.46
7	A'	1321	1272	50.36
8	A'	1172	1129	153.85
9	A'	1000	963	154.36
10	A'	816	786	30.59
11	A'	541	521	40.10
12	A'	407	392	5.31
13	A"	3157	3040	9.99
14	A"	1520	1464	14.42
15	A"	1109	1068	6.40
16	A"	638	614	180.54
17	A"	532	512	26.71
18	A"	73	70	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	1.196	-0.782	0.000
C2	0.000	0.161	0.000
O3	0.011	1.417	0.000
H4	2.124	-0.193	0.000
H5	1.157	-1.428	0.892
H6	1.157	-1.428	-0.892
O7	-1.214	-0.574	0.000
H8	-1.994	0.035	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5230	2.4975	1.0988	1.1018	1.1018	2.4189	3.2925
C2	1.5230		1.2557	2.1531	2.1585	2.1585	1.4192	1.9975
O3	2.4975	1.2557		2.6561	3.1938	3.1938	2.3376	2.4348
H4	1.0988	2.1531	2.6561		1.8040	1.8040	3.3594	4.1237
H5	1.1018	2.1585	3.1938	1.8040		1.7833	2.6732	3.5864
H6	1.1018	2.1585	3.1938	1.8040	1.7833		2.6732	3.5864
O7	2.4189	1.4192	2.3376	3.3594	2.6732	2.6732		0.9894
H8	3.2925	1.9975	2.4348	4.1237	3.5864	3.5864	0.9894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.740	C1	C2	O7	110.547
C2	C1	H4	109.352	C2	C1	H5	109.593
C2	C1	H6	109.593	C2	O7	H8	110.796
O3	C2	O7	121.713	H4	C1	H5	110.120
H4	C1	H6	110.120	H5	C1	H6	108.044

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

using model chemistry: MP2/LANL2DZ

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

using model chemistry: MP2/LANL2DZ

States and conformations

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