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	hartrees
Energy at 0K	-305.082025
Energy at 298.15K	-305.088808
HF Energy	-304.557284
Nuclear repulsion energy	218.525112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3809	3562	67.18
2	A'	3278	3066	5.13
3	A'	3267	3056	2.56
4	A'	3196	2989	18.18
5	A'	3110	2909	17.40
6	A'	1852	1732	328.25
7	A'	1778	1662	79.15
8	A'	1590	1487	11.77
9	A'	1528	1429	7.92
10	A'	1454	1359	84.59
11	A'	1414	1322	3.29
12	A'	1386	1297	1.23
13	A'	1243	1163	186.62
14	A'	1168	1092	72.93
15	A'	1025	959	18.72
16	A'	913	854	25.90
17	A'	646	604	59.48
18	A'	521	488	6.12
19	A'	400	374	5.55
20	A'	203	190	0.75
21	A"	3172	2966	19.29
22	A"	1578	1475	10.07
23	A"	1166	1090	1.08
24	A"	1050	982	47.02
25	A"	889	832	17.62
26	A"	703	658	77.60
27	A"	593	555	149.46
28	A"	205	192	0.40
29	A"	192	180	0.14
30	A"	102	95	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	-1.097	-0.368	0.000
C2	0.000	0.614	0.000
C3	1.299	0.286	0.000
C4	2.425	1.285	0.000
O5	-0.675	-1.682	0.000
O6	-2.294	-0.082	0.000
H7	-0.331	1.647	0.000
H8	1.576	-0.763	0.000
H9	2.049	2.310	0.000
H10	3.061	1.151	0.881
H11	3.061	1.151	-0.881
H12	-1.431	-2.288	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4727	2.4834	3.8907	1.3798	1.2312	2.1555	2.7020	4.1317	4.5137	4.5137	1.9491
C2	1.4727		1.3398	2.5162	2.3936	2.3973	1.0838	2.0936	2.6598	3.2304	3.2304	3.2367
C3	2.4834	1.3398		1.5054	2.7872	3.6117	2.1229	1.0854	2.1589	2.1519	2.1519	3.7526
C4	3.8907	2.5162	1.5054		4.2909	4.9132	2.7798	2.2170	1.0927	1.0949	1.0949	5.2575
O5	1.3798	2.3936	2.7872	4.2909		2.2768	3.3462	2.4313	4.8330	4.7707	4.7707	0.9697
O6	1.2312	2.3973	3.6117	4.9132	2.2768		2.6154	3.9299	4.9582	5.5655	5.5655	2.3696
H7	2.1555	1.0838	2.1229	2.7798	3.3462	2.6154		3.0732	2.4706	3.5395	3.5395	4.0860
H8	2.7020	2.0936	1.0854	2.2170	2.4313	3.9299	3.0732		3.1100	2.5780	2.5780	3.3722
H9	4.1317	2.6598	2.1589	1.0927	4.8330	4.9582	2.4706	3.1100		1.7736	1.7736	5.7674
H10	4.5137	3.2304	2.1519	1.0949	4.7707	5.5655	3.5395	2.5780	1.7736		1.7623	5.7262
H11	4.5137	3.2304	2.1519	1.0949	4.7707	5.5655	3.5395	2.5780	1.7736	1.7623		5.7262
H12	1.9491	3.2367	3.7526	5.2575	0.9697	2.3696	4.0860	3.3722	5.7674	5.7262	5.7262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.944	C1	C2	H7	114.092
C1	O5	H12	110.909	C2	C1	O5	114.057
C2	C1	O6	124.664	C2	C3	C4	124.251
C2	C3	H8	118.999	C3	C2	H7	121.965
C3	C4	H9	111.408	C3	C4	H10	110.708
C3	C4	H11	110.708	C4	C3	H8	116.750
O5	C1	O6	121.279	H9	C4	H10	108.344
H9	C4	H11	108.344	H10	C4	H11	107.186

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)