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	hartrees
Energy at 0K	-228.777416
Energy at 298.15K	-228.782344
HF Energy	-227.903617
Nuclear repulsion energy	121.926746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3846	3646	67.67
2	A'	3203	3037	4.26
3	A'	3104	2943	1.86
4	A'	1892	1793	307.03
5	A'	1507	1428	13.12
6	A'	1455	1379	81.81
7	A'	1381	1309	22.08
8	A'	1248	1183	208.22
9	A'	1026	972	52.88
10	A'	893	847	2.78
11	A'	601	570	44.05
12	A'	430	408	3.75
13	A"	3160	2996	3.99
14	A"	1514	1435	7.82
15	A"	1093	1036	7.04
16	A"	680	645	89.65
17	A"	563	534	31.16
18	A"	99	94	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.984	-0.980	0.000
C2	0.000	0.141	0.000
O3	0.295	1.310	0.000
H4	1.969	-0.540	0.000
H5	0.849	-1.604	0.879
H6	0.849	-1.604	-0.879
O7	-1.270	-0.279	0.000
H8	-1.781	0.534	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4919	2.3907	1.0787	1.0862	1.0862	2.3602	3.1527
C2	1.4919		1.2050	2.0839	2.1305	2.1305	1.3374	1.8241
O3	2.3907	1.2050		2.4946	3.0930	3.0930	2.2301	2.2171
H4	1.0787	2.0839	2.4946		1.7772	1.7772	3.2494	3.9014
H5	1.0862	2.1305	3.0930	1.7772		1.7573	2.6487	3.5015
H6	1.0862	2.1305	3.0930	1.7772	1.7573		2.6487	3.5015
O7	2.3602	1.3374	2.2301	3.2494	2.6487	2.6487		0.9605
H8	3.1527	1.8241	2.2171	3.9014	3.5015	3.5015	0.9605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.522	C1	C2	O7	112.953
C2	C1	H4	107.229	C2	C1	H5	110.468
C2	C1	H6	110.468	C2	O7	H8	103.873
O3	C2	O7	122.525	H4	C1	H5	110.356
H4	C1	H6	110.356	H5	C1	H6	107.980

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

using model chemistry: CCSD=FULL/cc-pVTZ

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: CCSD=FULL/cc-pVTZ

States and conformations

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