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	hartrees
Energy at 0K	-305.645480
Energy at 298.15K	-305.652087
HF Energy	-304.690538
Nuclear repulsion energy	219.150994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3683	3575
2	A'	3200	3106
3	A'	3187	3093
4	A'	3138	3046
5	A'	3048	2959
6	A'	1841	1787
7	A'	1722	1672
8	A'	1531	1486
9	A'	1458	1416
10	A'	1422	1380
11	A'	1351	1311
12	A'	1321	1282
13	A'	1235	1199
14	A'	1139	1106
15	A'	993	964
16	A'	895	869
17	A'	627	609
18	A'	499	485
19	A'	386	375
20	A'	197	191
21	A"	3112	3021
22	A"	1522	1477
23	A"	1091	1059
24	A"	995	966
25	A"	835	811
26	A"	692	672
27	A"	593	576
28	A"	195	189
29	A"	190	185
30	A"	90	88

Atom	x (Å)	y (Å)	z (Å)
C1	-1.102	-0.375	0.000
C2	0.000	0.611	0.000
C3	1.304	0.279	0.000
C4	2.424	1.277	0.000
O5	-0.675	-1.670	0.000
O6	-2.286	-0.081	0.000
H7	-0.330	1.650	0.000
H8	1.579	-0.777	0.000
H9	2.044	2.306	0.000
H10	3.064	1.142	0.884
H11	3.064	1.142	-0.884
H12	-1.493	-2.208	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4785	2.4935	3.8941	1.3637	1.2198	2.1668	2.7113	4.1335	4.5204	4.5204	1.8741
C2	1.4785		1.3457	2.5142	2.3785	2.3884	1.0900	2.1024	2.6557	3.2325	3.2325	3.1896
C3	2.4935	1.3457		1.5002	2.7778	3.6082	2.1327	1.0914	2.1577	2.1496	2.1496	3.7431
C4	3.8941	2.5142	1.5002		4.2768	4.9022	2.7792	2.2212	1.0967	1.0991	1.0991	5.2433
O5	1.3637	2.3785	2.7778	4.2768		2.2626	3.3375	2.4247	4.8169	4.7607	4.7607	0.9793
O6	1.2198	2.3884	3.6082	4.9022	2.2626		2.6120	3.9274	4.9446	5.5583	5.5583	2.2692
H7	2.1668	1.0900	2.1327	2.7792	3.3375	2.6120		3.0877	2.4632	3.5433	3.5433	4.0290
H8	2.7113	2.1024	1.0914	2.2212	2.4247	3.9274	3.0877		3.1179	2.5818	2.5818	3.3895
H9	4.1335	2.6557	2.1577	1.0967	4.8169	4.9446	2.4632	3.1179		1.7820	1.7820	5.7348
H10	4.5204	3.2325	2.1496	1.0991	4.7607	5.5583	3.5433	2.5818	1.7820		1.7673	5.7242
H11	4.5204	3.2325	2.1496	1.0991	4.7607	5.5583	3.5433	2.5818	1.7820	1.7673		5.7242
H12	1.8741	3.1896	3.7431	5.2433	0.9793	2.2692	4.0290	3.3895	5.7348	5.7242	5.7242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.927	C1	C2	H7	114.194
C1	O5	H12	105.048	C2	C1	O5	113.558
C2	C1	O6	124.263	C2	C3	C4	124.032
C2	C3	H8	118.865	C3	C2	H7	121.880
C3	C4	H9	111.429	C3	C4	H10	110.630
C3	C4	H11	110.630	C4	C3	H8	117.103
O5	C1	O6	122.178	H9	C4	H10	108.494
H9	C4	H11	108.494	H10	C4	H11	107.024

All results from a given calculation for C₄H₆O₂ (Crotonic Acid)

using model chemistry: CCSD(T)=FULL/6-31G*

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 C4H6O2 (Crotonic Acid)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₆O₂ (Crotonic Acid)