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	hartrees
Energy at 0K	-305.424519
Energy at 298.15K	-305.431354
HF Energy	-304.694549
Nuclear repulsion energy	221.268538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3908	3609	105.38
2	A'	3335	3081	3.42
3	A'	3320	3066	3.29
4	A'	3261	3012	13.71
5	A'	3166	2925	15.36
6	A'	1964	1814	474.83
7	A'	1838	1697	18.13
8	A'	1586	1465	12.31
9	A'	1519	1403	10.34
10	A'	1488	1375	117.34
11	A'	1413	1305	3.32
12	A'	1379	1274	4.81
13	A'	1300	1200	226.54
14	A'	1186	1096	23.07
15	A'	1034	955	7.69
16	A'	940	868	18.79
17	A'	663	613	62.85
18	A'	526	486	4.68
19	A'	402	372	4.09
20	A'	204	189	1.16
21	A"	3230	2984	15.29
22	A"	1577	1457	8.33
23	A"	1154	1066	2.27
24	A"	1066	985	37.72
25	A"	910	841	24.62
26	A"	739	683	61.75
27	A"	609	562	91.98
28	A"	209	193	0.33
29	A"	200	184	0.23
30	A"	98	90	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.093	-0.379	0.000
C2	0.000	0.608	0.000
C3	1.288	0.286	0.000
C4	2.405	1.277	0.000
O5	-0.673	-1.657	0.000
O6	-2.260	-0.091	0.000
H7	-0.334	1.634	0.000
H8	1.564	-0.760	0.000
H9	2.034	2.298	0.000
H10	3.038	1.138	0.876
H11	3.038	1.138	-0.876
H12	-1.469	-2.203	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4726	2.4715	3.8697	1.3449	1.2024	2.1513	2.6837	4.1169	4.4868	4.4868	1.8619
C2	1.4726		1.3274	2.4960	2.3630	2.3657	1.0792	2.0774	2.6451	3.2058	3.2058	3.1713
C3	2.4715	1.3274		1.4933	2.7606	3.5677	2.1093	1.0810	2.1469	2.1348	2.1348	3.7135
C4	3.8697	2.4960	1.4933		4.2524	4.8612	2.7623	2.2030	1.0868	1.0896	1.0896	5.2068
O5	1.3449	2.3630	2.7606	4.2524		2.2293	3.3085	2.4108	4.7937	4.7282	4.7282	0.9644
O6	1.2024	2.3657	3.5677	4.8612	2.2293		2.5854	3.8820	4.9145	5.5089	5.5089	2.2551
H7	2.1513	1.0792	2.1093	2.7623	3.3085	2.5854		3.0549	2.4602	3.5194	3.5194	4.0009
H8	2.6837	2.0774	1.0810	2.2030	2.4108	3.8820	3.0549		3.0940	2.5575	2.5575	3.3586
H9	4.1169	2.6451	2.1469	1.0868	4.7937	4.9145	2.4602	3.0940		1.7666	1.7666	5.7038
H10	4.4868	3.2058	2.1348	1.0896	4.7282	5.5089	3.5194	2.5575	1.7666		1.7516	5.6779
H11	4.4868	3.2058	2.1348	1.0896	4.7282	5.5089	3.5194	2.5575	1.7666	1.7516		5.6779
H12	1.8619	3.1713	3.7135	5.2068	0.9644	2.2551	4.0009	3.3586	5.7038	5.6779	5.6779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.858	C1	C2	H7	114.039
C1	O5	H12	106.295	C2	C1	O5	113.932
C2	C1	O6	124.042	C2	C3	C4	124.370
C2	C3	H8	118.855	C3	C2	H7	122.102
C3	C4	H9	111.656	C3	C4	H10	110.506
C3	C4	H11	110.506	C4	C3	H8	116.775
O5	C1	O6	122.026	H9	C4	H10	108.521
H9	C4	H11	108.521	H10	C4	H11	106.985

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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