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	hartrees
Energy at 0K	-230.827203
Energy at 298.15K	-230.833569
Nuclear repulsion energy	156.191716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3351	3351	5.70
2	A'	3337	3337	16.38
3	A'	3275	3275	21.83
4	A'	3185	3185	21.51
5	A'	3139	3139	166.29
6	A'	1995	1995	211.78
7	A'	1860	1860	190.84
8	A'	1619	1619	20.29
9	A'	1560	1560	8.67
10	A'	1547	1547	8.72
11	A'	1437	1437	1.44
12	A'	1426	1426	32.27
13	A'	1219	1219	7.86
14	A'	1095	1095	25.82
15	A'	960	960	19.85
16	A'	794	794	57.79
17	A'	421	421	4.22
18	A'	222	222	5.92
19	A"	3241	3241	23.65
20	A"	1614	1614	6.43
21	A"	1193	1193	2.58
22	A"	1147	1147	9.47
23	A"	1101	1101	30.66
24	A"	842	842	0.52
25	A"	257	257	6.16
26	A"	219	219	0.00
27	A"	153	153	9.46

Atom	x (Å)	y (Å)	z (Å)
C1	-1.476	0.542	0.000
C2	0.000	0.687	0.000
C3	0.798	-0.372	0.000
C4	2.297	-0.334	0.000
O5	-2.057	-0.495	0.000
H6	-2.037	1.487	0.000
H7	0.396	1.692	0.000
H8	0.335	-1.348	0.000
H9	2.676	0.684	0.000
H10	2.689	-0.850	0.875
H11	2.689	-0.850	-0.875

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.4836	2.4512	3.8734	1.1881	1.0982	2.1971	2.6177	4.1551	4.4784	4.4784
C2	1.4836		1.3264	2.5134	2.3725	2.1879	1.0799	2.0626	2.6762	3.2188	3.2188
C3	2.4512	1.3264		1.4994	2.8576	3.3897	2.1033	1.0799	2.1550	2.1380	2.1380
C4	3.8734	2.5134	1.4994		4.3568	4.7002	2.7781	2.2086	1.0861	1.0892	1.0892
O5	1.1881	2.3725	2.8576	4.3568		1.9812	3.2860	2.5396	4.8778	4.8394	4.8394
H6	1.0982	2.1879	3.3897	4.7002	1.9812		2.4410	3.6957	4.7808	5.3441	5.3441
H7	2.1971	1.0799	2.1033	2.7781	3.2860	2.4410		3.0407	2.4935	3.5340	3.5340
H8	2.6177	2.0626	1.0799	2.2086	2.5396	3.6957	3.0407		3.1002	2.5606	2.5606
H9	4.1551	2.6762	2.1550	1.0861	4.8778	4.7808	2.4935	3.1002		1.7661	1.7661
H10	4.4784	3.2188	2.1380	1.0892	4.8394	5.3441	3.5340	2.5606	1.7661		1.7501
H11	4.4784	3.2188	2.1380	1.0892	4.8394	5.3441	3.5340	2.5606	1.7661	1.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.356	C1	C2	H7	117.110
C2	C1	O5	124.876	C2	C1	H6	115.054
C2	C3	C4	125.498	C2	C3	H8	117.633
C3	C2	H7	121.534	C3	C4	H9	111.930
C3	C4	H10	110.364	C3	C4	H11	110.364
C4	C3	H8	116.869	O5	C1	H6	120.070
H9	C4	H10	108.561	H9	C4	H11	108.561
H10	C4	H11	106.903

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

using model chemistry: CBS-Q

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	0.216
2	C	-0.316
3	C	-0.101
4	C	-0.551
5	O	-0.418
6	H	0.159
7	H	0.195
8	H	0.235
9	H	0.191
10	H	0.195
11	H	0.195

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: CBS-Q

States and conformations

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