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	hartrees
Energy at 0K	-230.537910
Energy at 298.15K	-230.543753
Nuclear repulsion energy	154.313152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3061	13.40
2	A'	3205	3053	4.46
3	A'	3186	3035	7.25
4	A'	3076	2930	14.70
5	A'	2967	2826	172.42
6	A'	1769	1685	61.28
7	A'	1717	1635	106.89
8	A'	1482	1412	19.75
9	A'	1436	1368	7.14
10	A'	1406	1340	1.21
11	A'	1313	1251	1.45
12	A'	1307	1245	18.36
13	A'	1153	1098	4.17
14	A'	1033	984	10.66
15	A'	900	858	30.86
16	A'	741	706	34.96
17	A'	394	375	3.35
18	A'	208	198	4.47
19	A"	3160	3010	9.55
20	A"	1476	1405	7.29
21	A"	1070	1019	2.83
22	A"	1030	981	0.70
23	A"	1011	963	28.30
24	A"	764	728	0.07
25	A"	251	239	4.13
26	A"	207	197	0.75
27	A"	151	144	4.65

Atom	x (Å)	y (Å)	z (Å)
C1	-1.481	0.560	0.000
C2	0.000	0.707	0.000
C3	0.806	-0.379	0.000
C4	2.304	-0.344	0.000
O5	-2.068	-0.514	0.000
H6	-2.053	1.522	0.000
H7	0.415	1.723	0.000
H8	0.312	-1.360	0.000
H9	2.688	0.689	0.000
H10	2.704	-0.868	0.886
H11	2.704	-0.868	-0.886

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.4885	2.4726	3.8920	1.2237	1.1190	2.2242	2.6275	4.1710	4.5100	4.5100
C2	1.4885		1.3527	2.5328	2.4018	2.2087	1.0970	2.0912	2.6879	3.2524	3.2524
C3	2.4726	1.3527		1.4986	2.8776	3.4334	2.1379	1.0989	2.1635	2.1507	2.1507
C4	3.8920	2.5328	1.4986		4.3760	4.7399	2.8002	2.2369	1.1014	1.1041	1.1041
O5	1.2237	2.4018	2.8776	4.3760		2.0356	3.3418	2.5264	4.9058	4.8667	4.8667
H6	1.1190	2.2087	3.4334	4.7399	2.0356		2.4760	3.7284	4.8134	5.3968	5.3968
H7	2.2242	1.0970	2.1379	2.8002	3.3418	2.4760		3.0850	2.4971	3.5689	3.5689
H8	2.6275	2.0912	1.0989	2.2369	2.5264	3.7284	3.0850		3.1376	2.5979	2.5979
H9	4.1710	2.6879	2.1635	1.1014	4.9058	4.8134	2.4971	3.1376		1.7912	1.7912
H10	4.5100	3.2524	2.1507	1.1041	4.8667	5.3968	3.5689	2.5979	1.7912		1.7714
H11	4.5100	3.2524	2.1507	1.1041	4.8667	5.3968	3.5689	2.5979	1.7912	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.903	C1	C2	H7	117.898
C2	C1	O5	124.347	C2	C1	H6	115.052
C2	C3	C4	125.232	C2	C3	H8	116.693
C3	C2	H7	121.199	C3	C4	H9	111.722
C3	C4	H10	110.528	C3	C4	H11	110.528
C4	C3	H8	118.075	O5	C1	H6	120.602
H9	C4	H10	108.611	H9	C4	H11	108.611
H10	C4	H11	106.680

All results from a given calculation for C₄H₆O (cis-2-butenal)

using model chemistry: MP2/cc-pVDZ

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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Number	Element	Mulliken
1	C	0.325
2	C	-0.224
3	C	-0.042
4	C	0.001
5	O	-0.348
6	H	0.026
7	H	0.031
8	H	0.069
9	H	0.043
10	H	0.060
11	H	0.060

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6O (cis-2-butenal)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆O (cis-2-butenal)