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	hartrees
Energy at 0K	-267.944176
Energy at 298.15K	-267.951424
HF Energy	-266.951958
Nuclear repulsion energy	179.063092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3850	3595	72.15
2	A'	3158	2949	18.92
3	A'	3086	2881	7.77
4	A'	3080	2876	18.59
5	A'	1896	1770	275.32
6	A'	1526	1424	13.14
7	A'	1489	1390	12.59
8	A'	1458	1361	43.62
9	A'	1438	1343	29.41
10	A'	1343	1254	0.96
11	A'	1209	1129	255.29
12	A'	1114	1040	44.89
13	A'	1031	963	1.36
14	A'	842	786	8.99
15	A'	630	588	23.34
16	A'	476	444	19.16
17	A'	255	238	2.53
18	A"	3163	2953	19.63
19	A"	3122	2915	2.38
20	A"	1517	1417	6.44
21	A"	1306	1220	0.08
22	A"	1133	1058	0.53
23	A"	826	772	14.02
24	A"	657	614	84.49
25	A"	531	496	27.73
26	A"	217	203	0.01
27	A"	60	56	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.570	0.000
C2	-0.602	-0.810	0.000
C3	0.451	-1.907	0.000
O4	-0.953	1.524	0.000
O5	1.171	0.828	0.000
H6	-1.256	-0.879	0.870
H7	-1.256	-0.879	-0.870
H8	-0.022	-2.887	0.000
H9	1.090	-1.831	-0.878
H10	1.090	-1.831	0.878
H11	-0.489	2.368	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5054	2.5175	1.3487	1.1989	2.1057	2.1057	3.4570	2.7789	2.7789	1.8634
C2	1.5054		1.5205	2.3607	2.4134	1.0910	1.0910	2.1563	2.1620	2.1620	3.1800
C3	2.5175	1.5205		3.7075	2.8279	2.1745	2.1745	1.0887	1.0881	1.0881	4.3770
O4	1.3487	2.3607	3.7075		2.2349	2.5741	2.5741	4.5085	4.0251	4.0251	0.9628
O5	1.1989	2.4134	2.8279	2.2349		3.0919	3.0919	3.9020	2.8012	2.8012	2.2640
H6	2.1057	1.0910	2.1745	2.5741	3.0919		1.7408	2.5121	3.0765	2.5315	3.4481
H7	2.1057	1.0910	2.1745	2.5741	3.0919	1.7408		2.5121	2.5315	3.0765	3.4481
H8	3.4570	2.1563	1.0887	4.5085	3.9020	2.5121	2.5121		1.7673	1.7673	5.2757
H9	2.7789	2.1620	1.0881	4.0251	2.8012	3.0765	2.5315	1.7673		1.7555	4.5710
H10	2.7789	2.1620	1.0881	4.0251	2.8012	2.5315	3.0765	1.7673	1.7555		4.5710
H11	1.8634	3.1800	4.3770	0.9628	2.2640	3.4481	3.4481	5.2757	4.5710	4.5710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.608	C1	C2	H6	107.317
C1	C2	H7	107.317	C1	O4	H11	106.236
C2	C1	O4	111.494	C2	C1	O5	125.991
C2	C3	H8	110.364	C2	C3	H9	110.861
C2	C3	H10	110.861	C3	C2	H6	111.689
C3	C2	H7	111.689	O4	C1	O5	122.515
H6	C2	H7	105.847	H8	C3	H9	108.559
H8	C3	H10	108.559	H9	C3	H10	107.543

All results from a given calculation for CH₃CH₂COOH (Propanoic Acid)

using model chemistry: CCD/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 CH3CH2COOH (Propanoic Acid)

using model chemistry: CCD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂COOH (Propanoic Acid)