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	hartrees
Energy at 0K	-305.730565
Energy at 298.15K	-305.737202
HF Energy	-304.775774
Nuclear repulsion energy	219.858068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3829	3638	85.01
2	A'	3227	3066	4.19
3	A'	3210	3050	3.06
4	A'	3172	3014	11.63
5	A'	3070	2917	14.64
6	A'	1831	1740	279.67
7	A'	1712	1627	22.72
8	A'	1508	1433	12.31
9	A'	1427	1356	7.65
10	A'	1405	1335	82.73
11	A'	1332	1266	3.95
12	A'	1299	1235	3.73
13	A'	1221	1161	215.99
14	A'	1134	1078	30.24
15	A'	986	936	16.01
16	A'	890	846	22.40
17	A'	633	602	54.25
18	A'	502	477	2.31
19	A'	387	368	3.29
20	A'	194	185	0.83
21	A"	3145	2988	12.04
22	A"	1496	1421	8.25
23	A"	1073	1020	2.55
24	A"	1009	959	36.98
25	A"	844	802	13.13
26	A"	690	655	34.93
27	A"	562	534	84.50
28	A"	201	191	0.02
29	A"	193	183	0.92
30	A"	88	83	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-1.103	-0.379	0.000
C2	0.000	0.607	0.000
C3	1.302	0.280	0.000
C4	2.418	1.279	0.000
O5	-0.674	-1.667	0.000
O6	-2.277	-0.081	0.000
H7	-0.327	1.642	0.000
H8	1.571	-0.775	0.000
H9	2.036	2.303	0.000
H10	3.054	1.143	0.881
H11	3.054	1.143	-0.881
H12	-1.485	-2.192	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4786	2.4934	3.8910	1.3580	1.2119	2.1645	2.7025	4.1277	4.5132	4.5132	1.8534
C2	1.4786		1.3428	2.5095	2.3714	2.3789	1.0861	2.0917	2.6496	3.2236	3.2236	3.1683
C3	2.4934	1.3428		1.4975	2.7741	3.5979	2.1241	1.0880	2.1517	2.1423	2.1423	3.7256
C4	3.8910	2.5095	1.4975		4.2704	4.8882	2.7689	2.2214	1.0927	1.0952	1.0952	5.2231
O5	1.3580	2.3714	2.7741	4.2704		2.2555	3.3275	2.4154	4.8062	4.7507	4.7507	0.9664
O6	1.2119	2.3789	3.5979	4.8882	2.2555		2.6026	3.9101	4.9279	5.5407	5.5407	2.2547
H7	2.1645	1.0861	2.1241	2.7689	3.3275	2.6026		3.0730	2.4534	3.5297	3.5297	4.0054
H8	2.7025	2.0917	1.0880	2.2214	2.4154	3.9101	3.0730		3.1122	2.5793	2.5793	3.3686
H9	4.1277	2.6496	2.1517	1.0927	4.8062	4.9279	2.4534	3.1122		1.7773	1.7773	5.7095
H10	4.5132	3.2236	2.1423	1.0952	4.7507	5.5407	3.5297	2.5793	1.7773		1.7617	5.7011
H11	4.5132	3.2236	2.1423	1.0952	4.7507	5.5407	3.5297	2.5793	1.7773	1.7617		5.7011
H12	1.8534	3.1683	3.7256	5.2231	0.9664	2.2547	4.0054	3.3686	5.7095	5.7011	5.7011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.129	C1	C2	H7	114.253
C1	O5	H12	104.495	C2	C1	O5	113.375
C2	C1	O6	124.008	C2	C3	C4	124.056
C2	C3	H8	118.366	C3	C2	H7	121.619
C3	C4	H9	111.388	C3	C4	H10	110.479
C3	C4	H11	110.479	C4	C3	H8	117.578
O5	C1	O6	122.616	H9	C4	H10	108.644
H9	C4	H11	108.644	H10	C4	H11	107.080

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

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

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: MP2/6-311G**

States and conformations

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