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	hartrees
Energy at 0K	-305.793250
Energy at 298.15K	-305.799926
HF Energy	-304.761466
Nuclear repulsion energy	220.056002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3786	3586	67.29
2	A'	3230	3059	4.50
3	A'	3216	3046	2.54
4	A'	3178	3009	11.83
5	A'	3076	2913	13.93
6	A'	1835	1738	295.51
7	A'	1721	1630	23.94
8	A'	1527	1446	14.78
9	A'	1450	1374	9.95
10	A'	1416	1341	74.85
11	A'	1348	1277	3.90
12	A'	1320	1250	2.16
13	A'	1238	1173	240.17
14	A'	1144	1083	28.51
15	A'	994	942	15.70
16	A'	897	850	22.94
17	A'	638	604	56.75
18	A'	505	478	2.67
19	A'	390	370	3.37
20	A'	196	186	0.86
21	A"	3149	2983	11.75
22	A"	1516	1436	11.06
23	A"	1086	1028	1.09
24	A"	1006	953	45.06
25	A"	856	811	15.01
26	A"	702	665	52.81
27	A"	597	566	90.38
28	A"	198	187	0.72
29	A"	192	182	0.55
30	A"	92	87	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.101	-0.377	0.000
C2	0.000	0.606	0.000
C3	1.301	0.279	0.000
C4	2.416	1.275	0.000
O5	-0.676	-1.664	0.000
O6	-2.276	-0.079	0.000
H7	-0.328	1.641	0.000
H8	1.571	-0.775	0.000
H9	2.039	2.300	0.000
H10	3.054	1.140	0.878
H11	3.054	1.140	-0.878
H12	-1.476	-2.207	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4754	2.4900	3.8852	1.3552	1.2121	2.1609	2.7007	4.1260	4.5092	4.5092	1.8681
C2	1.4754		1.3418	2.5069	2.3681	2.3765	1.0862	2.0911	2.6512	3.2224	3.2224	3.1762
C3	2.4900	1.3418		1.4947	2.7724	3.5950	2.1236	1.0878	2.1511	2.1410	2.1410	3.7274
C4	3.8852	2.5069	1.4947		4.2660	4.8831	2.7679	2.2175	1.0914	1.0940	1.0940	5.2221
O5	1.3552	2.3681	2.7724	4.2660		2.2513	3.3233	2.4163	4.8046	4.7484	4.7484	0.9666
O6	1.2121	2.3765	3.5950	4.8831	2.2513		2.5990	3.9085	4.9275	5.5374	5.5374	2.2728
H7	2.1609	1.0862	2.1236	2.7679	3.3233	2.5990		3.0726	2.4571	3.5297	3.5297	4.0157
H8	2.7007	2.0911	1.0878	2.2175	2.4163	3.9085	3.0726		3.1101	2.5765	2.5765	3.3662
H9	4.1260	2.6512	2.1511	1.0914	4.8046	4.9275	2.4571	3.1101		1.7736	1.7736	5.7154
H10	4.5092	3.2224	2.1410	1.0940	4.7484	5.5374	3.5297	2.5765	1.7736		1.7566	5.7002
H11	4.5092	3.2224	2.1410	1.0940	4.7484	5.5374	3.5297	2.5765	1.7736	1.7566		5.7002
H12	1.8681	3.1762	3.7274	5.2221	0.9666	2.2728	4.0157	3.3662	5.7154	5.7002	5.7002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.158	C1	C2	H7	114.190
C1	O5	H12	105.932	C2	C1	O5	113.506
C2	C1	O6	124.043	C2	C3	C4	124.120
C2	C3	H8	118.412	C3	C2	H7	121.653
C3	C4	H9	111.618	C3	C4	H10	110.638
C3	C4	H11	110.638	C4	C3	H8	117.468
O5	C1	O6	122.452	H9	C4	H10	108.495
H9	C4	H11	108.495	H10	C4	H11	106.799

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

using model chemistry: MP2=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 C4H6O2 (Crotonic Acid)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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