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	hartrees
Energy at 0K	-615.334996
Energy at 298.15K	-615.342177
HF Energy	-614.929306
Nuclear repulsion energy	208.035016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3267	3126	17.05
2	A	3185	3047	7.88
3	A	3173	3036	16.77
4	A	3167	3030	9.89
5	A	3152	3016	16.44
6	A	3131	2996	2.60
7	A	3065	2932	13.75
8	A	1689	1616	0.83
9	A	1567	1500	4.98
10	A	1558	1491	6.66
11	A	1517	1451	6.49
12	A	1487	1423	7.84
13	A	1383	1323	2.12
14	A	1362	1303	0.58
15	A	1298	1242	30.67
16	A	1239	1185	17.24
17	A	1143	1093	3.09
18	A	1087	1040	27.99
19	A	1033	989	26.99
20	A	1022	978	0.80
21	A	957	916	40.45
22	A	894	855	10.38
23	A	723	692	35.81
24	A	614	587	18.12
25	A	450	430	8.55
26	A	325	311	1.23
27	A	304	291	1.73
28	A	278	266	3.89
29	A	256	245	0.22
30	A	96	92	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	3.227	-0.860	0.426
C2	1.227	-0.109	0.435
H3	2.454	-0.615	-1.242
C4	2.361	-0.549	-0.157
H5	0.181	0.263	-1.407
C6	0.025	0.369	-0.328
H7	-0.642	1.860	1.112
H8	-1.327	2.069	-0.520
H9	0.381	2.491	-0.208
C10	-0.427	1.786	0.038
H11	1.150	-0.064	1.524
Cl12	-1.444	-0.831	0.023

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1358	1.8540	1.0885	3.7279	3.5110	4.7783	5.4962	4.4416	4.5275	2.4799	4.6878
C2	2.1358		2.1388	1.3529	2.1512	1.5017	2.7976	3.4899	2.8088	2.5463	1.0925	2.7976
H3	1.8540	2.1388		1.0910	2.4428	2.7758	4.6101	4.6931	3.8752	3.9630	3.1070	4.1037
C4	1.0885	1.3529	1.0910		2.6415	2.5159	4.0538	4.5378	3.6290	3.6422	2.1276	3.8196
H5	3.7279	2.1512	2.4428	2.6415		1.0959	3.0943	2.5148	2.5387	2.1863	3.1047	2.4250
C6	3.5110	1.5017	2.7758	2.5159	1.0959		2.1772	2.1809	2.1553	1.5320	2.2095	1.9290
H7	4.7783	2.7976	4.6101	4.0538	3.0943	2.1772		1.7824	1.7856	1.0976	2.6612	3.0118
H8	5.4962	3.4899	4.6931	4.5378	2.5148	2.1809	1.7824		1.7868	1.0965	3.8555	2.9532
H9	4.4416	2.8088	3.8752	3.6290	2.5387	2.1553	1.7856	1.7868		1.1000	3.1811	3.7977
C10	4.5275	2.5463	3.9630	3.6422	2.1863	1.5320	1.0976	1.0965	1.1000		2.8490	2.8083
H11	2.4799	1.0925	3.1070	2.1276	3.1047	2.2095	2.6612	3.8555	3.1811	2.8490		3.0939
Cl12	4.6878	2.7976	4.1037	3.8196	2.4250	1.9290	3.0118	2.9532	3.7977	2.8083	3.0939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.672	H1	C4	H3	116.572
C2	C4	H3	121.756	C2	C6	H5	110.850
C2	C6	C10	114.139	C2	C6	Cl12	108.629
C4	C2	C6	123.525	C4	C2	H11	120.558
H5	C6	C10	111.527	H5	C6	Cl12	103.102
C6	C2	H11	115.905	C6	C10	H7	110.695
C6	C10	H8	111.053	C6	C10	H9	108.839
H7	C10	H8	108.651	H7	C10	H9	108.681
H8	C10	H9	108.872	C10	C6	Cl12	107.922

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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