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	hartrees
Energy at 0K	-265.891270
Energy at 298.15K	-265.898446
HF Energy	-265.353103
Nuclear repulsion energy	176.105800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3538	3384	10.18
2	A'	3124	2988	18.82
3	A'	3066	2933	6.11
4	A'	3057	2924	14.82
5	A'	1820	1741	143.37
6	A'	1580	1511	8.05
7	A'	1551	1483	16.72
8	A'	1490	1426	10.48
9	A'	1437	1375	39.67
10	A'	1371	1311	0.43
11	A'	1158	1107	166.24
12	A'	1092	1045	138.42
13	A'	1007	963	8.81
14	A'	807	772	8.12
15	A'	620	593	18.99
16	A'	465	445	28.49
17	A'	254	243	2.05
18	A"	3129	2993	22.13
19	A"	3097	2962	1.07
20	A"	1580	1511	6.23
21	A"	1332	1274	0.08
22	A"	1168	1117	0.16
23	A"	847	810	14.00
24	A"	638	610	126.99
25	A"	529	506	38.84
26	A"	200	191	0.00
27	A"	67	64	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.564	0.000
C2	-0.615	-0.826	0.000
C3	0.483	-1.915	0.000
O4	-0.994	1.535	0.000
O5	1.195	0.838	0.000
H6	-1.263	-0.908	0.884
H7	-1.263	-0.908	-0.884
H8	0.031	-2.915	0.000
H9	1.120	-1.812	-0.887
H10	1.120	-1.812	0.887
H11	-0.558	2.428	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5195	2.5248	1.3901	1.2256	2.1312	2.1312	3.4783	2.7720	2.7720	1.9459
C2	1.5195		1.5461	2.3916	2.4581	1.0991	1.0991	2.1861	2.1838	2.1838	3.2542
C3	2.5248	1.5461		3.7529	2.8430	2.2010	2.2010	1.0975	1.0971	1.0971	4.4654
O4	1.3901	2.3916	3.7529		2.2970	2.6120	2.6120	4.5664	4.0571	4.0571	0.9929
O5	1.2256	2.4581	2.8430	2.2970		3.1416	3.1416	3.9288	2.7952	2.7952	2.3665
H6	2.1312	1.0991	2.2010	2.6120	3.1416		1.7672	2.5460	3.1038	2.5491	3.5218
H7	2.1312	1.0991	2.2010	2.6120	3.1416	1.7672		2.5460	2.5491	3.1038	3.5218
H8	3.4783	2.1861	1.0975	4.5664	3.9288	2.5460	2.5460		1.7862	1.7862	5.3746
H9	2.7720	2.1838	1.0971	4.0571	2.7952	3.1038	2.5491	1.7862		1.7743	4.6452
H10	2.7720	2.1838	1.0971	4.0571	2.7952	2.5491	3.1038	1.7862	1.7743		4.6452
H11	1.9459	3.2542	4.4654	0.9929	2.3665	3.5218	3.5218	5.3746	4.6452	4.6452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	110.890	C1	C2	H6	107.868
C1	C2	H7	107.868	C1	O4	H11	108.338
C2	C1	O4	110.487	C2	C1	O5	126.799
C2	C3	H8	110.416	C2	C3	H9	110.265
C2	C3	H10	110.265	C3	C2	H6	111.503
C3	C2	H7	111.503	O4	C1	O5	122.714
H6	C2	H7	107.017	H8	C3	H9	108.954
H8	C3	H10	108.954	H9	C3	H10	107.930

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

using model chemistry: CCD/3-21G*

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/3-21G*

States and conformations

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