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	hartrees
Energy at 0K	-615.795212
Energy at 298.15K	-615.802334
HF Energy	-615.070131
Nuclear repulsion energy	201.085016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3241	3080	10.51
2	A	3195	3036	6.67
3	A	3170	3013	28.91
4	A	3165	3007	29.47
5	A	3124	2969	9.09
6	A	3075	2921	28.16
7	A	3072	2919	22.16
8	A	1687	1603	30.31
9	A	1523	1447	5.13
10	A	1519	1443	7.56
11	A	1498	1424	3.35
12	A	1426	1355	2.42
13	A	1369	1301	1.00
14	A	1328	1262	13.06
15	A	1311	1246	4.17
16	A	1269	1206	7.09
17	A	1160	1102	0.82
18	A	1104	1049	1.64
19	A	1062	1009	9.34
20	A	965	917	51.96
21	A	928	882	4.81
22	A	869	826	50.11
23	A	798	759	3.38
24	A	764	726	2.73
25	A	448	425	1.46
26	A	384	365	2.24
27	A	300	286	0.30
28	A	206	196	0.19
29	A	168	160	0.23
30	A	98	93	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	0.276	-0.769	1.184
C2	0.405	0.017	0.441
H3	-0.603	1.217	-1.008
Cl4	-2.251	-0.194	-0.024
C5	-0.656	0.442	-0.252
H6	1.750	1.382	-0.499
H7	2.167	0.970	1.163
C8	1.788	0.557	0.220
H9	3.758	-0.129	-0.415
H10	2.804	-1.357	0.435
H11	2.405	-0.932	-1.236
C12	2.749	-0.530	-0.280

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0888	3.0851	2.8590	2.0962	3.1033	2.5692	2.2297	3.8842	2.7015	3.2272	2.8834
C2	1.0888		2.1342	2.7045	1.3364	2.1347	2.1296	1.5014	3.4636	2.7649	2.7777	2.5128
H3	3.0851	2.1342		2.3824	1.0842	2.4134	3.5280	2.7685	4.6022	4.5073	3.7041	3.8496
Cl4	2.8590	2.7045	2.3824		1.7321	4.3269	4.7207	4.1160	6.0219	5.2075	4.8675	5.0179
C5	2.0962	1.3364	1.0842	1.7321		2.5955	3.2019	2.4925	4.4535	3.9597	3.4965	3.5411
H6	3.1033	2.1347	2.4134	4.3269	2.5955		1.7625	1.0957	2.5137	3.0794	2.5152	2.1679
H7	2.5692	2.1296	3.5280	4.7207	3.2019	1.7625		1.0969	2.4957	2.5203	3.0714	2.1612
C8	2.2297	1.5014	2.7685	4.1160	2.4925	1.0957	1.0969		2.1797	2.1767	2.1721	1.5339
H9	3.8842	3.4636	4.6022	6.0219	4.4535	2.5137	2.4957	2.1797		1.7717	1.7750	1.0939
H10	2.7015	2.7649	4.5073	5.2075	3.9597	3.0794	2.5203	2.1767	1.7717		1.7698	1.0942
H11	3.2272	2.7777	3.7041	4.8675	3.4965	2.5152	3.0714	2.1721	1.7750	1.7698		1.0934
C12	2.8834	2.5128	3.8496	5.0179	3.5411	2.1679	2.1612	1.5339	1.0939	1.0942	1.0934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.270	H1	C2	C8	117.940
C2	C5	H3	123.356	C2	C5	Cl4	123.103
C2	C8	H6	109.577	C2	C8	H7	109.098
C2	C8	C12	111.755	H3	C5	Cl4	113.540
C5	C2	C8	122.774	H6	C8	H7	106.998
H6	C8	C12	109.945	H7	C8	C12	109.346
C8	C12	H9	110.983	C8	C12	H10	110.730
C8	C12	H11	110.410	H9	C12	H10	108.138
H9	C12	H11	108.485	H10	C12	H11	107.997

All results from a given calculation for CHClCHCH₂CH₃ ((E)-1-Chloro-1-butene)

using model chemistry: MP2/6-311G**

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 CHClCHCH2CH3 ((E)-1-Chloro-1-butene)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for CHClCHCH₂CH₃ ((E)-1-Chloro-1-butene)