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	hartrees
Energy at 0K	-303.644532
Energy at 298.15K	-303.651152
HF Energy	-302.984894
Nuclear repulsion energy	216.607009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3473	3368
2	A'	3165	3069
3	A'	3159	3064
4	A'	3095	3001
5	A'	3022	2930
6	A'	1710	1658
7	A'	1654	1604
8	A'	1567	1520
9	A'	1475	1431
10	A'	1382	1340
11	A'	1354	1313
12	A'	1330	1290
13	A'	1160	1125
14	A'	1073	1041
15	A'	963	934
16	A'	835	809
17	A'	602	584
18	A'	479	464
19	A'	389	377
20	A'	205	199
21	A"	3078	2985
22	A"	1562	1515
23	A"	1119	1085
24	A"	1011	980
25	A"	846	820
26	A"	670	650
27	A"	570	553
28	A"	203	196
29	A"	191	186
30	A"	110	107

Atom	x (Å)	y (Å)	z (Å)
C1	-1.123	-0.343	0.000
C2	0.000	0.637	0.000
C3	1.296	0.267	0.000
C4	2.463	1.244	0.000
O5	-0.649	-1.669	0.000
O6	-2.338	-0.071	0.000
H7	-0.306	1.684	0.000
H8	1.536	-0.797	0.000
H9	2.104	2.283	0.000
H10	3.094	1.089	0.889
H11	3.094	1.089	-0.889
H12	-1.450	-2.263	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4901	2.4940	3.9210	1.4086	1.2450	2.1845	2.6976	4.1601	4.5404	4.5404	1.9485
C2	1.4901		1.3474	2.5367	2.3957	2.4425	1.0903	2.1018	2.6714	3.2503	3.2503	3.2429
C3	2.4940	1.3474		1.5219	2.7439	3.6489	2.1382	1.0912	2.1718	2.1674	2.1674	3.7342
C4	3.9210	2.5367	1.5219		4.2622	4.9775	2.8042	2.2412	1.0996	1.1008	1.1008	5.2548
O5	1.4086	2.3957	2.7439	4.2622		2.3253	3.3701	2.3526	4.8162	4.7328	4.7328	0.9979
O6	1.2450	2.4425	3.6489	4.9775	2.3253		2.6841	3.9415	5.0270	5.6242	5.6242	2.3654
H7	2.1845	1.0903	2.1382	2.8042	3.3701	2.6841		3.0901	2.4839	3.5641	3.5641	4.1094
H8	2.6976	2.1018	1.0912	2.2412	2.3526	3.9415	3.0901		3.1318	2.6022	2.6022	3.3272
H9	4.1601	2.6714	2.1718	1.0996	4.8162	5.0270	2.4839	3.1318		1.7875	1.7875	5.7709
H10	4.5404	3.2503	2.1674	1.1008	4.7328	5.6242	3.5641	2.6022	1.7875		1.7783	5.7160
H11	4.5404	3.2503	2.1674	1.1008	4.7328	5.6242	3.5641	2.6022	1.7875	1.7783		5.7160
H12	1.9485	3.2429	3.7342	5.2548	0.9979	2.3654	4.1094	3.3272	5.7709	5.7160	5.7160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.951	C1	C2	H7	114.802
C1	O5	H12	106.887	C2	C1	O5	111.446
C2	C1	O6	126.274	C2	C3	C4	124.165
C2	C3	H8	118.683	C3	C2	H7	122.247
C3	C4	H9	110.851	C3	C4	H10	110.430
C3	C4	H11	110.430	C4	C3	H8	117.152
O5	C1	O6	122.280	H9	C4	H10	108.652
H9	C4	H11	108.652	H10	C4	H11	107.741

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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