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	hartrees
Energy at 0K	-615.701817
Energy at 298.15K	-615.709184
HF Energy	-615.006505
Nuclear repulsion energy	207.177906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3267	3092	16.26
2	A	3202	3031	3.39
3	A	3192	3022	11.01
4	A	3181	3011	9.25
5	A	3133	2965	25.72
6	A	3115	2948	6.08
7	A	3070	2906	15.50
8	A	1758	1664	2.48
9	A	1540	1458	3.31
10	A	1533	1451	10.19
11	A	1499	1419	3.48
12	A	1411	1335	0.75
13	A	1389	1315	35.62
14	A	1352	1279	2.55
15	A	1300	1230	0.09
16	A	1230	1165	0.03
17	A	1171	1109	2.27
18	A	1077	1019	2.47
19	A	1042	986	14.56
20	A	1028	973	9.41
21	A	948	897	36.27
22	A	937	887	13.19
23	A	846	801	3.04
24	A	718	679	19.37
25	A	673	637	11.85
26	A	462	438	1.59
27	A	367	347	0.30
28	A	255	241	1.57
29	A	130	123	2.07
30	A	78	74	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	3.254	-1.289	-0.416
C2	1.423	-0.427	0.214
H3	3.176	0.559	-0.469
C4	2.676	-0.384	-0.247
H5	0.285	0.844	1.522
C6	0.578	0.793	0.465
H7	-1.217	1.790	-0.246
H8	-0.436	0.744	-1.455
C9	-0.682	0.849	-0.396
H10	0.958	-1.389	0.427
H11	1.165	1.697	0.249
Cl12	-1.833	-0.468	0.010

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1199	1.8500	1.0874	4.1381	3.5038	5.4320	4.3398	4.4797	2.4480	3.7050	5.1704
C2	2.1199		2.1235	1.3361	2.1495	1.5053	3.4782	2.7596	2.5361	1.0902	2.1398	3.2625
H3	1.8500	2.1235		1.0892	3.5223	2.7710	4.5679	3.7490	3.8696	3.0847	2.4201	5.1349
C4	1.0874	1.3361	1.0892		3.2182	2.5093	4.4594	3.5243	3.5807	2.1019	2.6194	4.5171
H5	4.1381	2.1495	3.5223	3.2182		1.0988	2.5055	3.0655	2.1480	2.5766	1.7680	2.9137
C6	3.5038	1.5053	2.7710	2.5093	1.0988		2.1724	2.1718	1.5263	2.2160	1.0995	2.7577
H7	5.4320	3.4782	4.5679	4.4594	2.5055	2.1724		1.7802	1.0931	3.9112	2.4344	2.3544
H8	4.3398	2.7596	3.7490	3.5243	3.0655	2.1718	1.7802		1.0930	3.1687	2.5253	2.3589
C9	4.4797	2.5361	3.8696	3.5807	2.1480	1.5263	1.0931	1.0930		2.8948	2.1321	1.7950
H10	2.4480	1.0902	3.0847	2.1019	2.5766	2.2160	3.9112	3.1687	2.8948		3.0988	2.9688
H11	3.7050	2.1398	2.4201	2.6194	1.7680	1.0995	2.4344	2.5253	2.1321	3.0988		3.7052
Cl12	5.1704	3.2625	5.1349	4.5171	2.9137	2.7577	2.3544	2.3589	1.7950	2.9688	3.7052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.695	H1	C4	H3	116.414
C2	C4	H3	121.890	C2	C6	H5	110.296
C2	C6	C9	113.555	C2	C6	H11	109.488
C4	C2	C6	123.942	C4	C2	H10	119.719
H5	C6	C9	108.723	H5	C6	H11	107.079
C6	C2	H10	116.338	C6	C9	H7	110.982
C6	C9	H8	110.935	C6	C9	Cl12	112.005
H7	C9	H8	109.041	H7	C9	Cl12	106.679
H8	C9	Cl12	107.009	C9	C6	H11	107.462

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)

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 CH2CHCH2CH2Cl (1-Butene, 4-chloro-)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)