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	hartrees
Energy at 0K	-615.711060
Energy at 298.15K	-615.718352
HF Energy	-615.020500
Nuclear repulsion energy	213.372008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3344	3131	9.90
2	A	3252	3046	4.74
3	A	3243	3037	13.06
4	A	3238	3032	6.73
5	A	3232	3027	13.14
6	A	3179	2977	7.02
7	A	3133	2934	11.83
8	A	1733	1623	0.57
9	A	1553	1454	2.21
10	A	1545	1447	5.87
11	A	1503	1408	6.90
12	A	1460	1367	4.41
13	A	1369	1282	2.45
14	A	1345	1260	4.92
15	A	1319	1235	25.32
16	A	1234	1156	8.59
17	A	1151	1078	2.04
18	A	1082	1013	29.86
19	A	1038	972	16.83
20	A	1006	942	3.16
21	A	946	886	31.54
22	A	910	852	8.44
23	A	751	703	33.80
24	A	666	624	5.48
25	A	472	442	3.24
26	A	331	310	1.15
27	A	311	291	0.87
28	A	292	273	2.75
29	A	270	253	0.37
30	A	99	93	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	3.198	-0.777	0.414
C2	1.188	-0.126	0.434
H3	2.423	-0.502	-1.238
C4	2.330	-0.486	-0.160
H5	0.163	0.244	-1.390
C6	-0.021	0.321	-0.319
H7	-0.655	1.806	1.109
H8	-1.330	2.031	-0.509
H9	0.370	2.422	-0.197
C10	-0.441	1.735	0.044
H11	1.104	-0.124	1.516
Cl12	-1.389	-0.810	0.018

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1128	1.8452	1.0802	3.6744	3.4787	4.6900	5.4073	4.3123	4.4372	2.4547	4.6036
C2	2.1128		2.1128	1.3372	2.1242	1.4925	2.7540	3.4473	2.7492	2.5042	1.0848	2.6977
H3	1.8452	2.1128		1.0820	2.3842	2.7378	4.5064	4.5863	3.7207	3.8537	3.0769	4.0252
C4	1.0802	1.3372	1.0820		2.5958	2.4908	3.9718	4.4560	3.5067	3.5576	2.1081	3.7370
H5	3.6744	2.1242	2.3842	2.5958		1.0895	3.0584	2.4901	2.4918	2.1552	3.0758	2.3453
C6	3.4787	1.4925	2.7378	2.4908	1.0895		2.1553	2.1620	2.1401	1.5191	2.1972	1.8063
H7	4.6900	2.7540	4.5064	3.9718	3.0584	2.1553		1.7678	1.7705	1.0886	2.6424	2.9277
H8	5.4073	3.4473	4.5863	4.4560	2.4901	2.1620	1.7678		1.7728	1.0880	3.8298	2.8896
H9	4.3123	2.7492	3.7207	3.5067	2.4918	2.1401	1.7705	1.7728		1.0898	3.1543	3.6853
C10	4.4372	2.5042	3.8537	3.5576	2.1552	1.5191	1.0886	1.0880	1.0898		2.8301	2.7156
H11	2.4547	1.0848	3.0769	2.1081	3.0758	2.1972	2.6424	3.8298	3.1543	2.8301		2.9876
Cl12	4.6036	2.6977	4.0252	3.7370	2.3453	1.8063	2.9277	2.8896	3.6853	2.7156	2.9876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.489	H1	C4	H3	117.168
C2	C4	H3	121.343	C2	C6	H5	109.727
C2	C6	C10	112.506	C2	C6	Cl12	109.353
C4	C2	C6	123.245	C4	C2	H11	120.660
H5	C6	C10	110.335	H5	C6	Cl12	105.481
C6	C2	H11	116.078	C6	C10	H7	110.392
C6	C10	H8	110.967	C6	C10	H9	109.121
H7	C10	H8	108.616	H7	C10	H9	108.720
H8	C10	H9	108.981	C10	C6	Cl12	109.193

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-)