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	hartrees
Energy at 0K	-615.848187
Energy at 298.15K	-615.855541
HF Energy	-615.032768
Nuclear repulsion energy	213.123999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3153	0.17
2	A'	3235	3056	0.37
3	A'	3207	3029	12.43
4	A'	3112	2940	12.90
5	A'	3104	2931	5.64
6	A'	1703	1608	28.53
7	A'	1539	1454	3.86
8	A'	1500	1417	6.21
9	A'	1443	1363	5.11
10	A'	1424	1345	2.49
11	A'	1382	1305	6.98
12	A'	1167	1103	55.84
13	A'	1093	1033	2.33
14	A'	1039	981	2.64
15	A'	897	847	9.10
16	A'	702	663	24.16
17	A'	429	405	0.67
18	A'	365	345	2.53
19	A'	256	242	0.33
20	A"	3209	3031	12.97
21	A"	3149	2975	2.83
22	A"	1528	1443	7.23
23	A"	1303	1231	0.32
24	A"	1122	1060	0.98
25	A"	909	858	39.42
26	A"	812	767	1.42
27	A"	718	678	0.04
28	A"	445	420	4.15
29	A"	279	263	0.01
30	A"	104	98	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	2.097	-1.121	0.000
H2	2.446	-2.154	0.000
H3	2.504	-0.628	0.884
H4	2.504	-0.628	-0.884
C5	0.573	-1.083	0.000
H6	0.179	-1.613	-0.873
H7	0.179	-1.613	0.873
C8	0.662	1.458	0.000
H9	1.743	1.463	0.000
C10	0.000	0.301	0.000
Cl11	-1.747	0.320	0.000
H12	0.144	2.406	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0904	1.0907	1.0907	1.5247	2.1643	2.1643	2.9512	2.6076	2.5337	4.1047	4.0314
H2	1.0904		1.7643	1.7643	2.1575	2.4888	2.4888	4.0284	3.6842	3.4654	4.8678	5.1079
H3	1.0907	1.7643		1.7684	2.1718	3.0760	2.5250	2.9200	2.3943	2.8132	4.4436	3.9442
H4	1.0907	1.7643	1.7684		2.1718	2.5250	3.0760	2.9200	2.3943	2.8132	4.4436	3.9442
C5	1.5247	2.1575	2.1718	2.1718		1.0944	1.0944	2.5426	2.8016	1.4979	2.7106	3.5152
H6	2.1643	2.4888	3.0760	2.5250	1.0944		1.7451	3.2290	3.5592	2.1110	2.8641	4.1126
H7	2.1643	2.4888	2.5250	3.0760	1.0944	1.7451		3.2290	3.5592	2.1110	2.8641	4.1126
C8	2.9512	4.0284	2.9200	2.9200	2.5426	3.2290	3.2290		1.0808	1.3331	2.6641	1.0802
H9	2.6076	3.6842	2.3943	2.3943	2.8016	3.5592	3.5592	1.0808		2.0946	3.6719	1.8565
C10	2.5337	3.4654	2.8132	2.8132	1.4979	2.1110	2.1110	1.3331	2.0946		1.7466	2.1098
Cl11	4.1047	4.8678	4.4436	4.4436	2.7106	2.8641	2.8641	2.6641	3.6719	1.7466		2.8153
H12	4.0314	5.1079	3.9442	3.9442	3.5152	4.1126	4.1126	1.0802	1.8565	2.1098	2.8153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.374	C1	C5	H7	110.374
C1	C5	C10	113.910	H2	C1	H3	107.973
H2	C1	H4	107.973	H2	C1	C5	110.075
H3	C1	H4	108.319	H3	C1	C5	111.191
H4	C1	C5	111.191	C5	C10	C8	127.732
C5	C10	Cl11	113.104	H6	C5	H7	105.746
H6	C5	C10	108.037	H7	C5	C10	108.037
C8	C10	Cl11	119.164	H9	C8	C10	120.022
H9	C8	H12	118.422	C10	C8	H12	121.556

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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