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	hartrees
Energy at 0K	-305.624098
Energy at 298.15K	-305.630678
HF Energy	-304.689263
Nuclear repulsion energy	218.716899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3677	3511
2	A'	3201	3057
3	A'	3188	3044
4	A'	3144	3002
5	A'	3052	2914
6	A'	1804	1723
7	A'	1710	1632
8	A'	1533	1463
9	A'	1457	1391
10	A'	1409	1345
11	A'	1349	1288
12	A'	1318	1258
13	A'	1222	1167
14	A'	1137	1085
15	A'	989	944
16	A'	887	846
17	A'	619	591
18	A'	494	472
19	A'	385	367
20	A'	196	187
21	A"	3120	2979
22	A"	1523	1454
23	A"	1090	1041
24	A"	998	953
25	A"	826	789
26	A"	685	654
27	A"	593	566
28	A"	194	186
29	A"	192	183
30	A"	87	83

Atom	x (Å)	y (Å)	z (Å)
C1	-1.103	-0.375	0.000
C2	0.000	0.611	0.000
C3	1.306	0.281	0.000
C4	2.426	1.280	0.000
O5	-0.671	-1.674	0.000
O6	-2.293	-0.082	0.000
H7	-0.330	1.650	0.000
H8	1.582	-0.776	0.000
H9	2.045	2.309	0.000
H10	3.066	1.146	0.884
H11	3.066	1.146	-0.884
H12	-1.491	-2.211	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4793	2.4970	3.8979	1.3691	1.2261	2.1679	2.7142	4.1364	4.5247	4.5247	1.8763
C2	1.4793		1.3474	2.5167	2.3817	2.3955	1.0904	2.1033	2.6578	3.2353	3.2353	3.1914
C3	2.4970	1.3474		1.5007	2.7810	3.6179	2.1334	1.0919	2.1580	2.1505	2.1505	3.7464
C4	3.8979	2.5167	1.5007		4.2805	4.9119	2.7804	2.2225	1.0969	1.0992	1.0992	5.2471
O5	1.3691	2.3817	2.7810	4.2805		2.2733	3.3420	2.4254	4.8209	4.7645	4.7645	0.9799
O6	1.2261	2.3955	3.6179	4.9119	2.2733		2.6182	3.9365	4.9530	5.5685	5.5685	2.2752
H7	2.1679	1.0904	2.1334	2.7804	3.3420	2.6182		3.0883	2.4640	3.5447	3.5447	4.0319
H8	2.7142	2.1033	1.0919	2.2225	2.4254	3.9365	3.0883		3.1190	2.5839	2.5839	3.3914
H9	4.1364	2.6578	2.1580	1.0969	4.8209	4.9530	2.4640	3.1190		1.7820	1.7820	5.7383
H10	4.5247	3.2353	2.1505	1.0992	4.7645	5.5685	3.5447	2.5839	1.7820		1.7672	5.7285
H11	4.5247	3.2353	2.1505	1.0992	4.7645	5.5685	3.5447	2.5839	1.7820	1.7672		5.7285
H12	1.8763	3.1914	3.7464	5.2471	0.9799	2.2752	4.0319	3.3914	5.7383	5.7285	5.7285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.032	C1	C2	H7	114.201
C1	O5	H12	104.813	C2	C1	O5	113.419
C2	C1	O6	124.355	C2	C3	C4	124.082
C2	C3	H8	118.770	C3	C2	H7	121.767
C3	C4	H9	111.403	C3	C4	H10	110.669
C3	C4	H11	110.669	C4	C3	H8	117.147
O5	C1	O6	122.227	H9	C4	H10	108.478
H9	C4	H11	108.478	H10	C4	H11	107.002

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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