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	hartrees
Energy at 0K	-305.602897
Energy at 298.15K	-305.609542
HF Energy	-304.706128
Nuclear repulsion energy	219.736469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3822	3580	79.35
2	A'	3281	3073	3.99
3	A'	3265	3058	3.75
4	A'	3230	3025	11.18
5	A'	3122	2924	14.16
6	A'	1842	1725	261.21
7	A'	1739	1629	23.51
8	A'	1546	1448	9.49
9	A'	1464	1371	4.51
10	A'	1419	1329	104.49
11	A'	1358	1272	2.80
12	A'	1326	1241	3.91
13	A'	1221	1144	185.06
14	A'	1150	1077	42.70
15	A'	999	935	15.87
16	A'	900	843	21.50
17	A'	626	586	54.23
18	A'	502	470	2.83
19	A'	388	364	4.02
20	A'	197	184	0.86
21	A"	3203	3000	12.71
22	A"	1535	1438	6.41
23	A"	1097	1027	1.82
24	A"	1022	957	29.24
25	A"	835	782	15.13
26	A"	691	647	61.11
27	A"	595	558	72.43
28	A"	199	186	0.15
29	A"	194	182	0.46
30	A"	86	81	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.098	-0.375	0.000
C2	0.000	0.608	0.000
C3	1.301	0.281	0.000
C4	2.413	1.278	0.000
O5	-0.666	-1.669	0.000
O6	-2.284	-0.082	0.000
H7	-0.326	1.640	0.000
H8	1.572	-0.769	0.000
H9	2.032	2.298	0.000
H10	3.048	1.146	0.877
H11	3.048	1.146	-0.877
H12	-1.477	-2.201	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4736	2.4868	3.8805	1.3636	1.2216	2.1580	2.6983	4.1157	4.5023	4.5023	1.8646
C2	1.4736		1.3416	2.5043	2.3720	2.3858	1.0821	2.0895	2.6427	3.2171	3.2171	3.1736
C3	2.4868	1.3416		1.4938	2.7691	3.6031	2.1198	1.0838	2.1454	2.1377	2.1377	3.7253
C4	3.8805	2.5043	1.4938		4.2617	4.8898	2.7623	2.2131	1.0884	1.0908	1.0908	5.2191
O5	1.3636	2.3720	2.7691	4.2617		2.2657	3.3260	2.4117	4.7968	4.7417	4.7417	0.9706
O6	1.2216	2.3858	3.6031	4.8898	2.2657		2.6079	3.9161	4.9284	5.5413	5.5413	2.2665
H7	2.1580	1.0821	2.1198	2.7623	3.3260	2.6079		3.0663	2.4475	3.5206	3.5206	4.0097
H8	2.6983	2.0895	1.0838	2.2131	2.4117	3.9161	3.0663		3.1009	2.5719	2.5719	3.3688
H9	4.1157	2.6427	2.1454	1.0884	4.7968	4.9284	2.4475	3.1009		1.7688	1.7688	5.7055
H10	4.5023	3.2171	2.1377	1.0908	4.7417	5.5413	3.5206	2.5719	1.7688		1.7537	5.6965
H11	4.5023	3.2171	2.1377	1.0908	4.7417	5.5413	3.5206	2.5719	1.7688	1.7537		5.6965
H12	1.8646	3.1736	3.7253	5.2191	0.9706	2.2665	4.0097	3.3688	5.7055	5.6965	5.6965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.025	C1	C2	H7	114.344
C1	O5	H12	104.781	C2	C1	O5	113.386
C2	C1	O6	124.282	C2	C3	C4	123.979
C2	C3	H8	118.588	C3	C2	H7	121.630
C3	C4	H9	111.403	C3	C4	H10	110.635
C3	C4	H11	110.635	C4	C3	H8	117.433
O5	C1	O6	122.332	H9	C4	H10	108.515
H9	C4	H11	108.515	H10	C4	H11	106.997

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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