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	hartrees
Energy at 0K	-231.049287
Energy at 298.15K	-231.055663
Nuclear repulsion energy	156.298623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3170	6.26
2	A'	3351	3157	16.33
3	A'	3286	3096	22.51
4	A'	3201	3016	21.20
5	A'	3165	2982	162.24
6	A'	2000	1884	195.44
7	A'	1863	1755	189.81
8	A'	1628	1534	20.03
9	A'	1571	1481	5.57
10	A'	1561	1471	10.52
11	A'	1447	1364	1.62
12	A'	1436	1353	33.14
13	A'	1226	1155	7.15
14	A'	1102	1039	27.54
15	A'	967	911	19.19
16	A'	796	750	57.64
17	A'	423	399	4.24
18	A'	223	210	6.07
19	A"	3252	3064	24.55
20	A"	1623	1529	6.63
21	A"	1203	1133	2.46
22	A"	1154	1088	10.93
23	A"	1108	1044	32.76
24	A"	852	802	0.69
25	A"	260	245	6.90
26	A"	217	205	0.01
27	A"	151	143	9.71

Atom	x (Å)	y (Å)	z (Å)
C1	-1.469	0.559	0.000
C2	0.000	0.703	0.000
C3	0.800	-0.375	0.000
C4	2.291	-0.338	0.000
O5	-2.059	-0.518	0.000
H6	-2.044	1.506	0.000
H7	0.409	1.712	0.000
H8	0.318	-1.352	0.000
H9	2.668	0.688	0.000
H10	2.691	-0.855	0.879
H11	2.691	-0.855	-0.879

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.4757	2.4539	3.8656	1.2282	1.1079	2.2029	2.6160	4.1386	4.4803	4.4803
C2	1.4757		1.3428	2.5168	2.3936	2.1960	1.0884	2.0794	2.6680	3.2310	3.2310
C3	2.4539	1.3428		1.4915	2.8628	3.4101	2.1234	1.0897	2.1488	2.1392	2.1392
C4	3.8656	2.5168	1.4915		4.3540	4.7112	2.7832	2.2191	1.0926	1.0951	1.0951
O5	1.2282	2.3936	2.8628	4.3540		2.0241	3.3256	2.5186	4.8781	4.8421	4.8421
H6	1.1079	2.1960	3.4101	4.7112	2.0241		2.4611	3.7075	4.7823	5.3631	5.3631
H7	2.2029	1.0884	2.1234	2.7832	3.3256	2.4611		3.0652	2.4805	3.5450	3.5450
H8	2.6160	2.0794	1.0897	2.2191	2.5186	3.7075	3.0652		3.1121	2.5792	2.5792
H9	4.1386	2.6680	2.1488	1.0926	4.8781	4.7823	2.4805	3.1121		1.7755	1.7755
H10	4.4803	3.2310	2.1392	1.0951	4.8421	5.3631	3.5450	2.5792	1.7755		1.7581
H11	4.4803	3.2310	2.1392	1.0951	4.8421	5.3631	3.5450	2.5792	1.7755	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.480	C1	C2	H7	117.041
C2	C1	O5	124.813	C2	C1	H6	115.148
C2	C3	C4	125.446	C2	C3	H8	117.675
C3	C2	H7	121.479	C3	C4	H9	111.913
C3	C4	H10	110.367	C3	C4	H11	110.367
C4	C3	H8	116.879	O5	C1	H6	120.039
H9	C4	H10	108.552	H9	C4	H11	108.552
H10	C4	H11	106.935

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

using model chemistry: G3

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	-0.327
3	C	-0.084
4	C	-0.528
5	O	-0.531
6	H	0.157
7	H	0.195
8	H	0.236
9	H	0.182
10	H	0.188
11	H	0.188

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: G3

States and conformations

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