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	hartrees
Energy at 0K	-25.894360
Energy at 298.15K	-25.899295
HF Energy	-25.384730
Nuclear repulsion energy	54.995729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3034	24.98
2	A'	3169	3020	1.31
3	A'	3163	3013	4.54
4	A'	3063	2918	36.34
5	A'	2006	1911	16.90
6	A'	1536	1464	5.17
7	A'	1492	1422	3.16
8	A'	1445	1376	3.87
9	A'	1371	1306	6.89
10	A'	1152	1097	0.23
11	A'	1101	1049	3.13
12	A'	884	842	3.43
13	A'	839	799	65.69
14	A'	568	541	7.45
15	A'	211	201	1.48
16	A"	3258	3104	3.94
17	A"	3148	2999	23.39
18	A"	1518	1447	7.45
19	A"	1078	1027	1.57
20	A"	1030	981	0.21
21	A"	894	851	21.13
22	A"	529	504	6.43
23	A"	347	331	8.95
24	A"	148	141	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.709	1.836	0.000
C2	0.000	0.717	0.000
C3	0.703	-0.405	0.000
C4	0.080	-1.791	0.000
H5	-1.009	2.311	0.932
H6	-1.009	2.311	-0.932
H7	1.792	-0.335	0.000
H8	-1.011	-1.722	0.000
H9	0.397	-2.354	-0.885
H10	0.397	-2.354	0.885

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3246	2.6485	3.7113	1.0879	1.0879	3.3121	3.5706	4.4225	4.4225
C2	1.3246		1.3239	2.5090	2.1040	2.1040	2.0781	2.6403	3.2203	3.2203
C3	2.6485	1.3239		1.5192	3.3428	3.3428	1.0914	2.1614	2.1621	2.1621
C4	3.7113	2.5090	1.5192		4.3449	4.3449	2.2468	1.0931	1.0960	1.0960
H5	1.0879	2.1040	3.3428	4.3449		1.8631	3.9644	4.1393	5.1997	4.8722
H6	1.0879	2.1040	3.3428	4.3449	1.8631		3.9644	4.1393	4.8722	5.1997
H7	3.3121	2.0781	1.0914	2.2468	3.9644	3.9644		3.1271	2.6082	2.6082
H8	3.5706	2.6403	2.1614	1.0931	4.1393	4.1393	3.1271		1.7790	1.7790
H9	4.4225	3.2203	2.1621	1.0960	5.1997	4.8722	2.6082	1.7790		1.7708
H10	4.4225	3.2203	2.1621	1.0960	4.8722	5.1997	2.6082	1.7790	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.686	C2	C1	H5	121.098
C2	C1	H6	121.098	C2	C3	C4	123.739
C2	C3	H7	118.409	C3	C4	H8	110.603
C3	C4	H9	110.484	C3	C4	H10	110.484
C4	C3	H7	117.852	H5	C1	H6	117.803
H8	C4	H9	108.715	H8	C4	H10	108.715
H9	C4	H10	107.764

All results from a given calculation for CH₂CCHCH₃ (1,2-Butadiene)

using model chemistry: MP2/CEP-121G*

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 CH2CCHCH3 (1,2-Butadiene)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for CH₂CCHCH₃ (1,2-Butadiene)