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	hartrees
Energy at 0K	-267.809958
Energy at 298.15K	-267.817083
HF Energy	-266.942590
Nuclear repulsion energy	178.357394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3817	3646	57.64
2	A'	3154	3013	24.08
3	A'	3086	2948	7.61
4	A'	3078	2940	22.55
5	A'	1845	1762	267.79
6	A'	1527	1459	9.75
7	A'	1495	1428	8.51
8	A'	1461	1396	6.00
9	A'	1441	1377	48.86
10	A'	1343	1283	1.22
11	A'	1198	1145	245.77
12	A'	1110	1060	71.54
13	A'	1030	984	1.00
14	A'	834	796	7.34
15	A'	628	600	20.21
16	A'	473	452	19.74
17	A'	258	246	2.01
18	A"	3161	3020	26.75
19	A"	3123	2983	2.90
20	A"	1519	1451	5.62
21	A"	1301	1243	0.01
22	A"	1134	1084	0.55
23	A"	825	788	9.12
24	A"	630	601	95.11
25	A"	509	486	32.32
26	A"	226	216	0.00
27	A"	12	11	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.571	0.000
C2	-0.599	-0.814	0.000
C3	0.456	-1.913	0.000
O4	-0.963	1.526	0.000
O5	1.176	0.837	0.000
H6	-1.251	-0.887	0.875
H7	-1.251	-0.887	-0.875
H8	-0.024	-2.893	0.000
H9	1.095	-1.838	-0.881
H10	1.095	-1.838	0.881
H11	-0.502	2.376	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5093	2.5248	1.3568	1.2056	2.1104	2.1104	3.4635	2.7888	2.7888	1.8740
C2	1.5093		1.5232	2.3687	2.4246	1.0932	1.0932	2.1566	2.1666	2.1666	3.1920
C3	2.5248	1.5232		3.7202	2.8422	2.1754	2.1754	1.0913	1.0905	1.0905	4.3945
O4	1.3568	2.3687	3.7202		2.2474	2.5824	2.5824	4.5176	4.0412	4.0412	0.9670
O5	1.2056	2.4246	2.8422	2.2474		3.1025	3.1025	3.9179	2.8178	2.8178	2.2769
H6	2.1104	1.0932	2.1754	2.5824	3.1025		1.7496	2.5092	3.0806	2.5314	3.4599
H7	2.1104	1.0932	2.1754	2.5824	3.1025	1.7496		2.5092	2.5314	3.0806	3.4599
H8	3.4635	2.1566	1.0913	4.5176	3.9179	2.5092	2.5092		1.7716	1.7716	5.2905
H9	2.7888	2.1666	1.0905	4.0412	2.8178	3.0806	2.5314	1.7716		1.7616	4.5921
H10	2.7888	2.1666	1.0905	4.0412	2.8178	2.5314	3.0806	1.7716	1.7616		4.5921
H11	1.8740	3.1920	4.3945	0.9670	2.2769	3.4599	3.4599	5.2905	4.5921	4.5921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.731	C1	C2	H6	107.294
C1	C2	H7	107.294	C1	O4	H11	106.280
C2	C1	O4	111.361	C2	C1	O5	126.166
C2	C3	H8	110.044	C2	C3	H9	110.899
C2	C3	H10	110.899	C3	C2	H6	111.437
C3	C2	H7	111.437	O4	C1	O5	122.473
H6	C2	H7	106.308	H8	C3	H9	108.581
H8	C3	H10	108.581	H9	C3	H10	107.754

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

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

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