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	hartrees
Energy at 0K	-303.588012
Energy at 298.15K	-303.594693
HF Energy	-302.987358
Nuclear repulsion energy	217.512215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3520	3348	28.50
2	A'	3218	3062	5.65
3	A'	3211	3055	0.07
4	A'	3153	3000	13.02
5	A'	3076	2926	11.50
6	A'	1753	1668	116.20
7	A'	1690	1607	34.51
8	A'	1590	1512	8.19
9	A'	1495	1422	6.98
10	A'	1404	1335	36.69
11	A'	1374	1307	10.61
12	A'	1350	1285	0.17
13	A'	1179	1122	109.52
14	A'	1094	1041	147.38
15	A'	983	935	14.48
16	A'	857	815	31.19
17	A'	617	587	52.54
18	A'	491	467	2.08
19	A'	395	376	3.67
20	A'	206	196	0.30
21	A"	3137	2985	13.74
22	A"	1583	1506	7.98
23	A"	1138	1083	0.02
24	A"	1034	984	47.06
25	A"	865	823	8.41
26	A"	685	651	48.18
27	A"	573	545	125.30
28	A"	207	197	0.48
29	A"	192	183	0.72
30	A"	110	104	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	-1.117	-0.342	0.000
C2	0.000	0.634	0.000
C3	1.292	0.266	0.000
C4	2.454	1.238	0.000
O5	-0.650	-1.663	0.000
O6	-2.326	-0.068	0.000
H7	-0.304	1.677	0.000
H8	1.530	-0.794	0.000
H9	2.097	2.273	0.000
H10	3.083	1.084	0.885
H11	3.083	1.084	-0.885
H12	-1.449	-2.256	0.000

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.4829	2.4842	3.9046	1.4014	1.2394	2.1758	2.6858	4.1438	4.5224	4.5224	1.9433
C2	1.4829		1.3427	2.5272	2.3868	2.4293	1.0863	2.0930	2.6623	3.2386	3.2386	3.2329
C3	2.4842	1.3427		1.5148	2.7373	3.6328	2.1293	1.0872	2.1628	2.1586	2.1586	3.7249
C4	3.9046	2.5272	1.5148		4.2485	4.9548	2.7925	2.2320	1.0954	1.0967	1.0967	5.2385
O5	1.4014	2.3868	2.7373	4.2485		2.3136	3.3574	2.3472	4.8005	4.7182	4.7182	0.9951
O6	1.2394	2.4293	3.6328	4.9548	2.3136		2.6703	3.9240	5.0045	5.6000	5.6000	2.3578
H7	2.1758	1.0863	2.1293	2.7925	3.3574	2.6703		3.0772	2.4744	3.5501	3.5501	4.0962
H8	2.6858	2.0930	1.0872	2.2320	2.3472	3.9240	3.0772		3.1197	2.5922	2.5922	3.3188
H9	4.1438	2.6623	2.1628	1.0954	4.8005	5.0045	2.4744	3.1197		1.7805	1.7805	5.7530
H10	4.5224	3.2386	2.1586	1.0967	4.7182	5.6000	3.5501	2.5922	1.7805		1.7706	5.6987
H11	4.5224	3.2386	2.1586	1.0967	4.7182	5.6000	3.5501	2.5922	1.7805	1.7706		5.6987
H12	1.9433	3.2329	3.7249	5.2385	0.9951	2.3578	4.0962	3.3188	5.7530	5.6987	5.6987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.007	C1	C2	H7	114.873
C1	O5	H12	107.146	C2	C1	O5	111.660
C2	C1	O6	126.110	C2	C3	C4	124.242
C2	C3	H8	118.562	C3	C2	H7	122.121
C3	C4	H9	110.888	C3	C4	H10	110.473
C3	C4	H11	110.473	C4	C3	H8	117.195
O5	C1	O6	122.230	H9	C4	H10	108.629
H9	C4	H11	108.629	H10	C4	H11	107.659

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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