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	hartrees
Energy at 0K	-41.751825
Energy at 298.15K	-41.757586
Nuclear repulsion energy	82.726622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3052	4.23
2	A'	3208	3046	20.79
3	A'	3189	3028	13.69
4	A'	3081	2925	19.75
5	A'	3004	2852	151.80
6	A'	1739	1651	45.88
7	A'	1715	1629	162.36
8	A'	1514	1437	22.41
9	A'	1446	1373	0.65
10	A'	1418	1346	4.92
11	A'	1331	1264	1.05
12	A'	1324	1257	16.30
13	A'	1164	1105	5.26
14	A'	1040	988	11.41
15	A'	911	864	27.90
16	A'	731	694	35.20
17	A'	389	369	3.05
18	A'	202	192	5.49
19	A"	3165	3005	19.25
20	A"	1501	1425	10.48
21	A"	1094	1039	6.03
22	A"	1029	977	57.20
23	A"	1007	956	0.59
24	A"	783	744	0.43
25	A"	245	232	7.27
26	A"	201	191	0.89
27	A"	135	128	7.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.494	0.566	0.000
C2	0.000	0.710	0.000
C3	0.818	-0.393	0.000
C4	2.331	-0.334	0.000
O5	-2.097	-0.521	0.000
H6	-2.071	1.522	0.000
H7	0.417	1.725	0.000
H8	0.333	-1.378	0.000
H9	2.693	0.708	0.000
H10	2.736	-0.852	0.889
H11	2.736	-0.852	-0.889

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5007	2.5021	3.9295	1.2430	1.1168	2.2353	2.6672	4.1887	4.5491	4.5491
C2	1.5007		1.3731	2.5547	2.4320	2.2242	1.0971	2.1146	2.6926	3.2741	3.2741
C3	2.5021	1.3731		1.5150	2.9177	3.4655	2.1552	1.0979	2.1741	2.1641	2.1641
C4	3.9295	2.5547	1.5150		4.4327	4.7776	2.8112	2.2547	1.1028	1.1060	1.1060
O5	1.2430	2.4320	2.9177	4.4327		2.0428	3.3716	2.5768	4.9449	4.9259	4.9259
H6	1.1168	2.2242	3.4655	4.7776	2.0428		2.4968	3.7665	4.8326	5.4347	5.4347
H7	2.2353	1.0971	2.1552	2.8112	3.3716	2.4968		3.1040	2.4921	3.5789	3.5789
H8	2.6672	2.1146	1.0979	2.2547	2.5768	3.7665	3.1040		3.1493	2.6162	2.6162
H9	4.1887	2.6926	2.1741	1.1028	4.9449	4.8326	2.4921	3.1493		1.7961	1.7961
H10	4.5491	3.2741	2.1641	1.1060	4.9259	5.4347	3.5789	2.6162	1.7961		1.7789
H11	4.5491	3.2741	2.1641	1.1060	4.9259	5.4347	3.5789	2.6162	1.7961	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.009	C1	C2	H7	117.902
C2	C1	O5	124.586	C2	C1	H6	115.593
C2	C3	C4	124.323	C2	C3	H8	117.256
C3	C2	H7	121.089	C3	C4	H9	111.335
C3	C4	H10	110.347	C3	C4	H11	110.347
C4	C3	H8	118.420	O5	C1	H6	119.821
H9	C4	H10	108.812	H9	C4	H11	108.812
H10	C4	H11	107.069

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

using model chemistry: MP2/CEP-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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Number	Element	Mulliken
1	C	-0.114
2	C	-0.171
3	C	-0.207
4	C	-0.358
5	O	-0.264
6	H	0.148
7	H	0.277
8	H	0.295
9	H	0.143
10	H	0.125
11	H	0.125

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2/CEP-31G*

States and conformations

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