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	hartrees
Energy at 0K	-615.656197
Energy at 298.15K	-615.663557
HF Energy	-615.007739
Nuclear repulsion energy	212.540565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3145	1.58
2	A'	3239	3055	0.14
3	A'	3204	3022	18.06
4	A'	3114	2937	15.34
5	A'	3102	2925	9.66
6	A'	1723	1625	28.30
7	A'	1573	1484	4.91
8	A'	1544	1456	6.46
9	A'	1477	1393	2.99
10	A'	1461	1378	3.44
11	A'	1420	1340	8.17
12	A'	1193	1125	58.72
13	A'	1114	1051	1.93
14	A'	1055	995	3.14
15	A'	905	854	7.69
16	A'	708	668	23.75
17	A'	437	412	1.10
18	A'	372	351	2.44
19	A'	263	248	0.38
20	A"	3207	3025	20.78
21	A"	3146	2967	6.24
22	A"	1562	1473	7.65
23	A"	1331	1255	0.28
24	A"	1154	1089	0.97
25	A"	885	835	49.98
26	A"	833	786	0.99
27	A"	716	675	0.06
28	A"	441	416	4.58
29	A"	283	267	0.02
30	A"	98	92	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	2.116	-1.092	0.000
H2	2.473	-2.125	0.000
H3	2.518	-0.595	0.887
H4	2.518	-0.595	-0.887
C5	0.593	-1.073	0.000
H6	0.209	-1.611	-0.875
H7	0.209	-1.611	0.875
C8	0.645	1.472	0.000
H9	1.729	1.498	0.000
C10	0.000	0.303	0.000
Cl11	-1.759	0.292	0.000
H12	0.118	2.418	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0929	1.0930	1.0930	1.5234	2.1615	2.1615	2.9564	2.6190	2.5347	4.1143	4.0394
H2	1.0929		1.7689	1.7689	2.1543	2.4809	2.4809	4.0352	3.6988	3.4658	4.8730	5.1176
H3	1.0930	1.7689		1.7730	2.1729	3.0770	2.5227	2.9272	2.4064	2.8167	4.4567	3.9534
H4	1.0930	1.7689	1.7730		2.1729	2.5227	3.0770	2.9272	2.4064	2.8167	4.4567	3.9534
C5	1.5234	2.1543	2.1729	2.1729		1.0965	1.0965	2.5463	2.8110	1.4987	2.7188	3.5237
H6	2.1615	2.4809	3.0770	2.5227	1.0965		1.7505	3.2347	3.5694	2.1151	2.8737	4.1242
H7	2.1615	2.4809	2.5227	3.0770	1.0965	1.7505		3.2347	3.5694	2.1151	2.8737	4.1242
C8	2.9564	4.0352	2.9272	2.9272	2.5463	3.2347	3.2347		1.0837	1.3354	2.6779	1.0830
H9	2.6190	3.6988	2.4064	2.4064	2.8110	3.5694	3.5694	1.0837		2.1013	3.6897	1.8553
C10	2.5347	3.4658	2.8167	2.8167	1.4987	2.1151	2.1151	1.3354	2.1013		1.7585	2.1183
Cl11	4.1143	4.8730	4.4567	4.4567	2.7188	2.8737	2.8737	2.6779	3.6897	1.7585		2.8355
H12	4.0394	5.1176	3.9534	3.9534	3.5237	4.1242	4.1242	1.0830	1.8553	2.1183	2.8355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.111	C1	C5	H7	110.111
C1	C5	C10	114.005	H2	C1	H3	108.045
H2	C1	H4	108.045	H2	C1	C5	109.761
H3	C1	H4	108.405	H3	C1	C5	111.236
H4	C1	C5	111.236	C5	C10	C8	127.816
C5	C10	Cl11	112.930	H6	C5	H7	105.917
H6	C5	C10	108.177	H7	C5	C10	108.177
C8	C10	Cl11	119.254	H9	C8	C10	120.241
H9	C8	H12	117.803	C10	C8	H12	121.956

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

using model chemistry: MP2/6-31G*

States and conformations

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