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	hartrees
Energy at 0K	-305.622345
Energy at 298.15K	-305.628928
HF Energy	-304.690032
Nuclear repulsion energy	218.885633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3679	3530
2	A'	3198	3067
3	A'	3185	3055
4	A'	3136	3008
5	A'	3046	2922
6	A'	1833	1758
7	A'	1717	1647
8	A'	1531	1468
9	A'	1457	1397
10	A'	1417	1360
11	A'	1349	1294
12	A'	1319	1265
13	A'	1232	1182
14	A'	1137	1090
15	A'	990	950
16	A'	891	855
17	A'	624	599
18	A'	497	477
19	A'	385	369
20	A'	196	188
21	A"	3110	2983
22	A"	1521	1459
23	A"	1089	1045
24	A"	992	951
25	A"	826	793
26	A"	687	659
27	A"	591	567
28	A"	193	185
29	A"	189	182
30	A"	88	84

Atom	x (Å)	y (Å)	z (Å)
C1	-1.103	-0.375	0.000
C2	0.000	0.612	0.000
C3	1.306	0.280	0.000
C4	2.427	1.279	0.000
O5	-0.675	-1.673	0.000
O6	-2.289	-0.082	0.000
H7	-0.330	1.651	0.000
H8	1.581	-0.777	0.000
H9	2.046	2.308	0.000
H10	3.066	1.144	0.884
H11	3.066	1.144	-0.884
H12	-1.495	-2.209	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4803	2.4967	3.8989	1.3661	1.2214	2.1687	2.7146	4.1376	4.5251	4.5251	1.8752
C2	1.4803		1.3474	2.5172	2.3820	2.3916	1.0904	2.1044	2.6579	3.2355	3.2355	3.1924
C3	2.4967	1.3474		1.5021	2.7816	3.6129	2.1345	1.0918	2.1593	2.1513	2.1513	3.7469
C4	3.8989	2.5172	1.5021		4.2824	4.9083	2.7819	2.2232	1.0971	1.0995	1.0995	5.2489
O5	1.3661	2.3820	2.7816	4.2824		2.2660	3.3414	2.4281	4.8222	4.7662	4.7662	0.9796
O6	1.2214	2.3916	3.6129	4.9083	2.2660		2.6151	3.9322	4.9500	5.5645	5.5645	2.2709
H7	2.1687	1.0904	2.1345	2.7819	3.3414	2.6151		3.0898	2.4653	3.5461	3.5461	4.0320
H8	2.7146	2.1044	1.0918	2.2232	2.4281	3.9322	3.0898		3.1198	2.5839	2.5839	3.3935
H9	4.1376	2.6579	2.1593	1.0971	4.8222	4.9500	2.4653	3.1198		1.7828	1.7828	5.7398
H10	4.5251	3.2355	2.1513	1.0995	4.7662	5.5645	3.5461	2.5839	1.7828		1.7683	5.7299
H11	4.5251	3.2355	2.1513	1.0995	4.7662	5.5645	3.5461	2.5839	1.7828	1.7683		5.7299
H12	1.8752	3.1924	3.7469	5.2489	0.9796	2.2709	4.0320	3.3935	5.7398	5.7299	5.7299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.928	C1	C2	H7	114.194
C1	O5	H12	104.954	C2	C1	O5	113.555
C2	C1	O6	124.275	C2	C3	C4	124.018
C2	C3	H8	118.878	C3	C2	H7	121.878
C3	C4	H9	111.402	C3	C4	H10	110.619
C3	C4	H11	110.619	C4	C3	H8	117.105
O5	C1	O6	122.170	H9	C4	H10	108.506
H9	C4	H11	108.506	H10	C4	H11	107.051

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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