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	hartrees
Energy at 0K	-615.700001
Energy at 298.15K	-615.707277
HF Energy	-615.008846
Nuclear repulsion energy	212.807990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3297	3095	11.75
2	A	3222	3025	4.06
3	A	3209	3012	10.01
4	A	3204	3008	12.20
5	A	3192	2996	15.88
6	A	3164	2970	3.72
7	A	3110	2919	11.74
8	A	1766	1657	0.80
9	A	1554	1458	3.30
10	A	1546	1451	7.17
11	A	1507	1415	8.50
12	A	1473	1382	7.00
13	A	1379	1294	1.77
14	A	1355	1272	3.95
15	A	1326	1245	26.92
16	A	1241	1165	7.66
17	A	1155	1084	1.79
18	A	1087	1020	31.56
19	A	1032	969	17.77
20	A	1013	951	3.28
21	A	954	896	36.89
22	A	910	854	8.26
23	A	751	705	35.69
24	A	665	624	5.85
25	A	474	445	3.63
26	A	332	312	1.23
27	A	314	294	0.98
28	A	293	275	2.81
29	A	265	249	0.23
30	A	98	92	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	3.205	-0.781	0.415
C2	1.193	-0.127	0.433
H3	2.436	-0.498	-1.241
C4	2.333	-0.485	-0.160
H5	0.161	0.247	-1.395
C6	-0.021	0.324	-0.321
H7	-0.660	1.811	1.115
H8	-1.339	2.035	-0.509
H9	0.368	2.433	-0.195
C10	-0.445	1.740	0.045
H11	1.104	-0.129	1.519
Cl12	-1.390	-0.814	0.018

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1155	1.8477	1.0851	3.6872	3.4882	4.7066	5.4254	4.3302	4.4517	2.4611	4.6123
C2	2.1155		2.1186	1.3338	2.1324	1.4987	2.7675	3.4610	2.7624	2.5145	1.0889	2.7050
H3	1.8477	2.1186		1.0870	2.3990	2.7497	4.5252	4.6053	3.7366	3.8691	3.0869	4.0407
C4	1.0851	1.3338	1.0870		2.6036	2.4943	3.9821	4.4675	3.5177	3.5653	2.1102	3.7422
H5	3.6872	2.1324	2.3990	2.6036		1.0920	3.0697	2.4967	2.5018	2.1615	3.0852	2.3508
C6	3.4882	1.4987	2.7497	2.4943	1.0920		2.1639	2.1681	2.1473	1.5228	2.2033	1.8127
H7	4.7066	2.7675	4.5252	3.9821	3.0697	2.1639		1.7749	1.7778	1.0935	2.6537	2.9376
H8	5.4254	3.4610	4.6053	4.4675	2.4967	2.1681	1.7749		1.7805	1.0927	3.8429	2.8978
H9	4.3302	2.7624	3.7366	3.5177	2.5018	2.1473	1.7778	1.7805		1.0948	3.1691	3.6980
C10	4.4517	2.5145	3.8691	3.5653	2.1615	1.5228	1.0935	1.0927	1.0948		2.8401	2.7234
H11	2.4611	1.0889	3.0869	2.1102	3.0852	2.2033	2.6537	3.8429	3.1691	2.8401		2.9906
Cl12	4.6123	2.7050	4.0407	3.7422	2.3508	1.8127	2.9376	2.8978	3.6980	2.7234	2.9906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.644	H1	C4	H3	116.560
C2	C4	H3	121.795	C2	C6	H5	109.797
C2	C6	C10	112.653	C2	C6	Cl12	109.178
C4	C2	C6	123.319	C4	C2	H11	120.821
H5	C6	C10	110.433	H5	C6	Cl12	105.348
C6	C2	H11	115.846	C6	C10	H7	110.528
C6	C10	H8	110.917	C6	C10	H9	109.149
H7	C10	H8	108.558	H7	C10	H9	108.670
H8	C10	H9	108.974	C10	C6	Cl12	109.163

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)

using model chemistry: MP3/6-31G*

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 CH2CHCHClCH3 (1-Butene, 3-chloro-)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)