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	hartrees
Energy at 0K	-268.230605
Energy at 298.15K	-268.237796
HF Energy	-267.939657
Nuclear repulsion energy	178.348712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3759	3759	38.41
2	A'	3150	3150	26.58
3	A'	3078	3078	15.63
4	A'	3076	3076	19.39
5	A'	1828	1828	256.56
6	A'	1536	1536	12.18
7	A'	1497	1497	15.43
8	A'	1454	1454	3.00
9	A'	1432	1432	51.83
10	A'	1335	1335	0.34
11	A'	1188	1188	257.61
12	A'	1104	1104	66.83
13	A'	1027	1027	1.55
14	A'	827	827	9.87
15	A'	620	620	20.88
16	A'	472	472	21.95
17	A'	255	255	2.46
18	A"	3157	3157	27.99
19	A"	3107	3107	4.92
20	A"	1531	1531	8.62
21	A"	1308	1308	0.04
22	A"	1134	1134	0.37
23	A"	826	826	19.91
24	A"	686	686	109.22
25	A"	529	529	22.83
26	A"	218	218	0.00
27	A"	43	43	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.571	0.000
C2	-0.598	-0.814	0.000
C3	0.457	-1.912	0.000
O4	-0.965	1.523	0.000
O5	1.176	0.841	0.000
H6	-1.256	-0.888	0.870
H7	-1.256	-0.888	-0.870
H8	-0.015	-2.896	0.000
H9	1.099	-1.840	-0.878
H10	1.099	-1.840	0.878
H11	-0.512	2.377	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5087	2.5249	1.3551	1.2065	2.1132	2.1132	3.4668	2.7909	2.7909	1.8776
C2	1.5087		1.5229	2.3653	2.4261	1.0937	1.0937	2.1618	2.1683	2.1683	3.1927
C3	2.5249	1.5229		3.7174	2.8452	2.1774	2.1774	1.0909	1.0899	1.0899	4.3978
O4	1.3551	2.3653	3.7174		2.2469	2.5797	2.5797	4.5193	4.0414	4.0414	0.9672
O5	1.2065	2.4261	2.8452	2.2469		3.1087	3.1087	3.9217	2.8216	2.8216	2.2830
H6	2.1132	1.0937	2.1774	2.5797	3.1087		1.7403	2.5155	3.0833	2.5397	3.4607
H7	2.1132	1.0937	2.1774	2.5797	3.1087	1.7403		2.5155	2.5397	3.0833	3.4607
H8	3.4668	2.1618	1.0909	4.5193	3.9217	2.5155	2.5155		1.7681	1.7681	5.2966
H9	2.7909	2.1683	1.0899	4.0414	2.8216	3.0833	2.5397	1.7681		1.7564	4.5989
H10	2.7909	2.1683	1.0899	4.0414	2.8216	2.5397	3.0833	1.7681	1.7564		4.5989
H11	1.8776	3.1927	4.3978	0.9672	2.2830	3.4607	3.4607	5.2966	4.5989	4.5989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.789	C1	C2	H6	107.520
C1	C2	H7	107.520	C1	O4	H11	106.707
C2	C1	O4	111.246	C2	C1	O5	126.269
C2	C3	H8	110.512	C2	C3	H9	111.086
C2	C3	H10	111.086	C3	C2	H6	111.594
C3	C2	H7	111.594	O4	C1	O5	122.485
H6	C2	H7	105.433	H8	C3	H9	108.335
H8	C3	H10	108.335	H9	C3	H10	107.364

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

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

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