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	hartrees
Energy at 0K	-305.769685
Energy at 298.15K	-305.776332
HF Energy	-304.776360
Nuclear repulsion energy	219.706906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3681	72.53
2	A'	3211	3063	5.33
3	A'	3194	3048	3.72
4	A'	3139	2995	15.84
5	A'	3050	2910	18.37
6	A'	1849	1764	362.05
7	A'	1729	1649	17.48
8	A'	1512	1442	10.51
9	A'	1439	1373	7.57
10	A'	1419	1354	69.71
11	A'	1340	1278	4.90
12	A'	1310	1249	4.89
13	A'	1242	1185	222.23
14	A'	1133	1081	23.61
15	A'	986	941	9.80
16	A'	893	852	19.07
17	A'	639	610	56.26
18	A'	503	480	2.81
19	A'	386	368	3.43
20	A'	195	186	0.88
21	A"	3112	2969	17.28
22	A"	1500	1431	6.99
23	A"	1083	1033	2.92
24	A"	1006	959	35.16
25	A"	851	812	18.81
26	A"	696	664	35.80
27	A"	560	534	83.50
28	A"	198	188	0.19
29	A"	192	183	0.60
30	A"	89	85	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-1.105	-0.383	0.000
C2	0.000	0.609	0.000
C3	1.302	0.284	0.000
C4	2.423	1.286	0.000
O5	-0.678	-1.669	0.000
O6	-2.276	-0.088	0.000
H7	-0.333	1.644	0.000
H8	1.577	-0.770	0.000
H9	2.041	2.312	0.000
H10	3.059	1.148	0.883
H11	3.059	1.148	-0.883
H12	-1.483	-2.200	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4849	2.4973	3.9025	1.3553	1.2077	2.1685	2.7095	4.1422	4.5235	4.5235	1.8558
C2	1.4849		1.3420	2.5155	2.3774	2.3808	1.0870	2.0950	2.6579	3.2292	3.2292	3.1764
C3	2.4973	1.3420		1.5037	2.7811	3.5974	2.1272	1.0889	2.1588	2.1483	2.1483	3.7312
C4	3.9025	2.5155	1.5037		4.2837	4.8959	2.7794	2.2233	1.0947	1.0971	1.0971	5.2350
O5	1.3553	2.3774	2.7811	4.2837		2.2476	3.3310	2.4277	4.8212	4.7630	4.7630	0.9638
O6	1.2077	2.3808	3.5974	4.8959	2.2476		2.6030	3.9128	4.9396	5.5473	5.5473	2.2553
H7	2.1685	1.0870	2.1272	2.7794	3.3310	2.6030		3.0783	2.4666	3.5403	3.5403	4.0118
H8	2.7095	2.0950	1.0889	2.2233	2.4277	3.9128	3.0783		3.1167	2.5802	2.5802	3.3773
H9	4.1422	2.6579	2.1588	1.0947	4.8212	4.9396	2.4666	3.1167		1.7804	1.7804	5.7247
H10	4.5235	3.2292	2.1483	1.0971	4.7630	5.5473	3.5403	2.5802	1.7804		1.7664	5.7113
H11	4.5235	3.2292	2.1483	1.0971	4.7630	5.5473	3.5403	2.5802	1.7804	1.7664		5.7113
H12	1.8558	3.1764	3.7312	5.2350	0.9638	2.2553	4.0118	3.3773	5.7247	5.7113	5.7113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.031	C1	C2	H7	114.058
C1	O5	H12	105.051	C2	C1	O5	113.576
C2	C1	O6	123.977	C2	C3	C4	124.147
C2	C3	H8	118.670	C3	C2	H7	121.911
C3	C4	H9	111.392	C3	C4	H10	110.403
C3	C4	H11	110.403	C4	C3	H8	117.183
O5	C1	O6	122.447	H9	C4	H10	108.646
H9	C4	H11	108.646	H10	C4	H11	107.231

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

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

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