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	hartrees
Energy at 0K	-267.694726
Energy at 298.15K	-267.701949
HF Energy	-266.869716
Nuclear repulsion energy	177.627444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3792	3638	56.82
2	A'	3159	3031	22.20
3	A'	3080	2955	5.32
4	A'	3073	2948	27.47
5	A'	1866	1790	245.82
6	A'	1502	1441	16.04
7	A'	1467	1408	11.84
8	A'	1451	1392	40.10
9	A'	1421	1363	19.05
10	A'	1333	1279	0.33
11	A'	1205	1156	245.29
12	A'	1108	1063	36.87
13	A'	1024	983	2.13
14	A'	835	801	8.02
15	A'	619	594	24.41
16	A'	471	452	19.06
17	A'	254	244	2.34
18	A"	3165	3037	22.40
19	A"	3120	2993	5.23
20	A"	1493	1433	5.36
21	A"	1286	1234	0.01
22	A"	1116	1071	0.47
23	A"	816	783	15.11
24	A"	664	637	88.53
25	A"	527	506	22.29
26	A"	225	216	0.00
27	A"	58	56	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.575	0.000
C2	-0.609	-0.815	0.000
C3	0.451	-1.917	0.000
O4	-0.959	1.535	0.000
O5	1.184	0.830	0.000
H6	-1.273	-0.885	0.882
H7	-1.273	-0.885	-0.882
H8	-0.026	-2.912	0.000
H9	1.099	-1.837	-0.890
H10	1.099	-1.837	0.890
H11	-0.474	2.377	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5169	2.5317	1.3576	1.2114	2.1283	2.1283	3.4868	2.7951	2.7951	1.8638
C2	1.5169		1.5294	2.3755	2.4333	1.1061	1.1061	2.1772	2.1802	2.1802	3.1945
C3	2.5317	1.5294		3.7288	2.8426	2.1942	2.1942	1.1038	1.1034	1.1034	4.3923
O4	1.3576	2.3755	3.7288		2.2567	2.5950	2.5950	4.5441	4.0491	4.0491	0.9720
O5	1.2114	2.4333	2.8426	2.2567		3.1237	3.1237	3.9327	2.8122	2.8122	2.2681
H6	2.1283	1.1061	2.1942	2.5950	3.1237		1.7641	2.5381	3.1095	2.5552	3.4726
H7	2.1283	1.1061	2.1942	2.5950	3.1237	1.7641		2.5381	2.5552	3.1095	3.4726
H8	3.4868	2.1772	1.1038	4.5441	3.9327	2.5381	2.5381		1.7925	1.7925	5.3082
H9	2.7951	2.1802	1.1034	4.0491	2.8122	3.1095	2.5552	1.7925		1.7799	4.5848
H10	2.7951	2.1802	1.1034	4.0491	2.8122	2.5552	3.1095	1.7925	1.7799		4.5848
H11	1.8638	3.1945	4.3923	0.9720	2.2681	3.4726	3.4726	5.3082	4.5848	4.5848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.417	C1	C2	H6	107.429
C1	C2	H7	107.429	C1	O4	H11	105.069
C2	C1	O4	111.345	C2	C1	O5	125.845
C2	C3	H8	110.502	C2	C3	H9	110.765
C2	C3	H10	110.765	C3	C2	H6	111.717
C3	C2	H7	111.717	O4	C1	O5	122.810
H6	C2	H7	105.772	H8	C3	H9	108.598
H8	C3	H10	108.598	H9	C3	H10	107.521

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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