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	hartrees
Energy at 0K	-615.685643
Energy at 298.15K	-615.693017
HF Energy	-615.007835
Nuclear repulsion energy	212.748501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3144	1.55
2	A'	3241	3053	0.14
3	A'	3205	3020	17.85
4	A'	3115	2935	15.22
5	A'	3102	2923	9.62
6	A'	1727	1627	28.54
7	A'	1574	1483	4.97
8	A'	1544	1455	6.62
9	A'	1479	1393	3.11
10	A'	1463	1379	3.49
11	A'	1422	1340	8.32
12	A'	1194	1125	58.34
13	A'	1116	1051	1.88
14	A'	1057	996	3.16
15	A'	907	855	7.67
16	A'	709	668	23.61
17	A'	438	413	1.08
18	A'	373	351	2.43
19	A'	263	248	0.37
20	A"	3208	3023	20.49
21	A"	3146	2964	6.20
22	A"	1563	1472	7.75
23	A"	1333	1256	0.28
24	A"	1156	1089	0.95
25	A"	891	839	50.02
26	A"	834	786	0.97
27	A"	718	677	0.06
28	A"	444	419	4.70
29	A"	284	268	0.02
30	A"	99	93	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	2.095	-1.133	0.000
H2	2.433	-2.172	0.000
H3	2.507	-0.645	0.886
H4	2.507	-0.645	-0.886
C5	0.573	-1.083	0.000
H6	0.179	-1.615	-0.874
H7	0.179	-1.615	0.874
C8	0.671	1.456	0.000
H9	1.754	1.461	0.000
C10	0.000	0.302	0.000
Cl11	-1.750	0.327	0.000
H12	0.161	2.411	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0926	1.0926	1.0926	1.5230	2.1605	2.1605	2.9551	2.6166	2.5396	4.1131	4.0380
H2	1.0926		1.7674	1.7674	2.1558	2.4815	2.4815	4.0337	3.6962	3.4705	4.8734	5.1160
H3	1.0926	1.7674		1.7723	2.1724	3.0759	2.5225	2.9275	2.4056	2.8228	4.4559	3.9536
H4	1.0926	1.7674	1.7723		2.1724	2.5225	3.0759	2.9275	2.4056	2.8228	4.4559	3.9536
C5	1.5230	2.1558	2.1724	2.1724		1.0964	1.0964	2.5415	2.8052	1.4994	2.7177	3.5188
H6	2.1605	2.4815	3.0759	2.5225	1.0964		1.7483	3.2311	3.5649	2.1149	2.8737	4.1202
H7	2.1605	2.4815	2.5225	3.0759	1.0964	1.7483		3.2311	3.5649	2.1149	2.8737	4.1202
C8	2.9551	4.0337	2.9275	2.9275	2.5415	3.2311	3.2311		1.0828	1.3349	2.6716	1.0829
H9	2.6166	3.6962	2.4056	2.4056	2.8052	3.5649	3.5649	1.0828		2.1022	3.6830	1.8552
C10	2.5396	3.4705	2.8228	2.8228	1.4994	2.1149	2.1149	1.3349	2.1022		1.7503	2.1150
Cl11	4.1131	4.8734	4.4559	4.4559	2.7177	2.8737	2.8737	2.6716	3.6830	1.7503		2.8274
H12	4.0380	5.1160	3.9536	3.9536	3.5188	4.1202	4.1202	1.0829	1.8552	2.1150	2.8274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.072	C1	C5	H7	110.072
C1	C5	C10	114.336	H2	C1	H3	107.950
H2	C1	H4	107.950	H2	C1	C5	109.927
H3	C1	H4	108.391	H3	C1	C5	111.250
H4	C1	C5	111.250	C5	C10	C8	127.358
C5	C10	Cl11	113.274	H6	C5	H7	105.744
H6	C5	C10	108.118	H7	C5	C10	108.118
C8	C10	Cl11	119.368	H9	C8	C10	120.440
H9	C8	H12	117.877	C10	C8	H12	121.684

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-chloro-)

using model chemistry: MP2=FULL/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 CH2CClCH2CH3 (1-Butene, 2-chloro-)

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-chloro-)