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	hartrees
Energy at 0K	-305.763469
Energy at 298.15K	-305.770074
HF Energy	-304.737869
Nuclear repulsion energy	217.913674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3747	3607
2	A'	3191	3071
3	A'	3172	3053
4	A'	3112	2995
5	A'	3016	2903
6	A'	1772	1705
7	A'	1682	1619
8	A'	1469	1413
9	A'	1394	1341
10	A'	1377	1326
11	A'	1311	1262
12	A'	1279	1231
13	A'	1208	1163
14	A'	1113	1072
15	A'	960	924
16	A'	866	833
17	A'	616	593
18	A'	493	474
19	A'	378	364
20	A'	191	184
21	A"	3084	2968
22	A"	1459	1405
23	A"	1050	1011
24	A"	977	940
25	A"	832	801
26	A"	678	652
27	A"	581	559
28	A"	201	194
29	A"	193	186
30	A"	96	93

Atom	x (Å)	y (Å)	z (Å)
C1	-1.111	-0.372	0.000
C2	0.000	0.617	0.000
C3	1.314	0.275	0.000
C4	2.445	1.275	0.000
O5	-0.688	-1.678	0.000
O6	-2.298	-0.073	0.000
H7	-0.326	1.664	0.000
H8	1.581	-0.791	0.000
H9	2.066	2.312	0.000
H10	3.086	1.131	0.890
H11	3.086	1.131	-0.890
H12	-1.502	-2.209	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4876	2.5100	3.9192	1.3725	1.2236	2.1825	2.7241	4.1587	4.5466	4.5466	1.8784
C2	1.4876		1.3577	2.5322	2.3955	2.3989	1.0966	2.1166	2.6719	3.2531	3.2531	3.2006
C3	2.5100	1.3577		1.5098	2.7964	3.6282	2.1489	1.0986	2.1709	2.1603	2.1603	3.7553
C4	3.9192	2.5322	1.5098		4.3049	4.9306	2.7981	2.2392	1.1040	1.1063	1.1063	5.2650
O5	1.3725	2.3955	2.7964	4.3049		2.2731	3.3613	2.4356	4.8472	4.7881	4.7881	0.9726
O6	1.2236	2.3989	3.6282	4.9306	2.2731		2.6278	3.9441	4.9724	5.5883	5.5883	2.2797
H7	2.1825	1.0966	2.1489	2.7981	3.3613	2.6278		3.1080	2.4776	3.5662	3.5662	4.0481
H8	2.7241	2.1166	1.0986	2.2392	2.4356	3.9441	3.1080		3.1399	2.5987	2.5987	3.3935
H9	4.1587	2.6719	2.1709	1.1040	4.8472	4.9724	2.4776	3.1399		1.7963	1.7963	5.7592
H10	4.5466	3.2531	2.1603	1.1063	4.7881	5.5883	3.5662	2.5987	1.7963		1.7802	5.7451
H11	4.5466	3.2531	2.1603	1.1063	4.7881	5.5883	3.5662	2.5987	1.7963	1.7802		5.7451
H12	1.8784	3.2006	3.7553	5.2650	0.9726	2.2797	4.0481	3.3935	5.7592	5.7451	5.7451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.740	C1	C2	H7	114.399
C1	O5	H12	105.168	C2	C1	O5	113.704
C2	C1	O6	124.171	C2	C3	C4	123.945
C2	C3	H8	118.635	C3	C2	H7	121.861
C3	C4	H9	111.367	C3	C4	H10	110.383
C3	C4	H11	110.383	C4	C3	H8	117.420
O5	C1	O6	122.126	H9	C4	H10	108.726
H9	C4	H11	108.726	H10	C4	H11	107.137

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

using model chemistry: CCSD(T)/aug-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 C4H6O2 (Crotonic Acid)

using model chemistry: CCSD(T)/aug-cc-pVDZ

States and conformations

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