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	hartrees
Energy at 0K	-156.666651
Energy at 298.15K	-156.674640
HF Energy	-156.104891
Nuclear repulsion energy	116.886073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3264	3089	19.70
2	A	3183	3013	4.37
3	A	3165	2996	34.50
4	A	3159	2990	30.55
5	A	3153	2984	26.69
6	A	3108	2941	11.19
7	A	3075	2911	24.71
8	A	3062	2898	26.82
9	A	1759	1665	3.68
10	A	1559	1476	5.35
11	A	1551	1468	5.69
12	A	1542	1459	2.05
13	A	1498	1417	1.92
14	A	1466	1388	2.34
15	A	1393	1319	1.84
16	A	1351	1279	1.29
17	A	1327	1256	0.05
18	A	1236	1170	0.18
19	A	1129	1069	3.53
20	A	1070	1013	1.19
21	A	1030	975	14.13
22	A	1014	959	2.32
23	A	938	888	37.47
24	A	886	839	1.16
25	A	813	770	2.41
26	A	657	622	8.39
27	A	440	416	0.64
28	A	325	307	0.46
29	A	240	227	0.03
30	A	105	99	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.723	-0.246	-0.298
C2	0.543	0.521	0.313
C3	-0.719	-0.301	0.342
C4	-1.859	0.021	-0.279
H5	-0.664	-1.232	0.912
H6	1.506	-0.528	-1.336
H7	2.635	0.364	-0.291
H8	1.927	-1.165	0.265
H9	0.802	0.825	1.337
H10	0.363	1.444	-0.255
H11	-1.958	0.937	-0.862
H12	-2.740	-0.616	-0.230

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5342	2.5250	3.5926	2.8524	1.0965	1.0968	1.0973	2.1613	2.1695	3.9078	4.4794
C2	1.5342		1.5062	2.5245	2.2114	2.1779	2.1826	2.1821	1.1002	1.0984	2.7946	3.5169
C3	2.5250	1.5062		1.3382	1.0937	2.7954	3.4768	2.7846	2.1386	2.1379	2.1255	2.1244
C4	3.5926	2.5245	1.3382		2.1025	3.5699	4.5073	4.0054	3.2167	2.6391	1.0900	1.0883
H5	2.8524	2.2114	1.0937	2.1025		3.2028	3.8570	2.6715	2.5621	3.0951	3.0870	2.4486
H6	1.0965	2.1779	2.7954	3.5699	3.2028		1.7775	1.7735	3.0775	2.5218	3.7911	4.3890
H7	1.0968	2.1826	3.4768	4.5073	3.8570	1.7775		1.7743	2.4945	2.5154	4.6638	5.4641
H8	1.0973	2.1821	2.7846	4.0054	2.6715	1.7735	1.7743		2.5254	3.0861	4.5593	4.7258
H9	2.1613	1.1002	2.1386	3.2167	2.5621	3.0775	2.4945	2.5254		1.7644	3.5316	4.1335
H10	2.1695	1.0984	2.1379	2.6391	3.0951	2.5218	2.5154	3.0861	1.7644		2.4524	3.7251
H11	3.9078	2.7946	2.1255	1.0900	3.0870	3.7911	4.6638	4.5593	3.5316	2.4524		1.8503
H12	4.4794	3.5169	2.1244	1.0883	2.4486	4.3890	5.4641	4.7258	4.1335	3.7251	1.8503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.291	C1	C2	H9	109.140
C1	C2	H10	109.883	C2	C1	H6	110.660
C2	C1	H7	111.015	C2	C1	H8	110.944
C2	C3	C4	125.026	C2	C3	H5	115.643
C3	C2	H9	109.289	C3	C2	H10	109.340
C3	C4	H11	121.837	C3	C4	H12	121.867
C4	C3	H5	119.327	H6	C1	H7	108.280
H6	C1	H8	107.887	H7	C1	H8	107.933
H9	C2	H10	106.740	H11	C4	H12	116.296

All results from a given calculation for CH₂CHCH₂CH₃ (1-Butene)

using model chemistry: CCD/6-31G*

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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All results from a given calculation for CH2CHCH2CH3 (1-Butene)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for CH₂CHCH₂CH₃ (1-Butene)