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	hartrees
Energy at 0K	-41.302185
Energy at 298.15K	-41.309229
HF Energy	-40.684242
Nuclear repulsion energy	87.582489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3248	3084	10.60
2	A	3211	3048	9.88
3	A	3188	3027	46.18
4	A	3182	3021	40.28
5	A	3154	2994	10.10
6	A	3092	2935	30.17
7	A	3084	2928	36.67
8	A	1690	1605	26.42
9	A	1529	1452	7.74
10	A	1524	1447	8.27
11	A	1510	1433	3.56
12	A	1441	1368	2.40
13	A	1380	1310	0.93
14	A	1331	1263	13.35
15	A	1315	1249	2.29
16	A	1265	1201	9.68
17	A	1168	1109	0.47
18	A	1113	1057	4.96
19	A	1065	1011	9.29
20	A	976	927	72.54
21	A	929	882	5.40
22	A	866	822	52.07
23	A	804	764	6.03
24	A	765	726	3.54
25	A	442	420	1.70
26	A	380	361	2.62
27	A	292	277	0.34
28	A	200	190	0.21
29	A	168	160	0.20
30	A	92	87	0.21

Atom	x (Å)	y (Å)	z (Å)
H1	0.280	-0.814	1.173
C2	0.414	-0.002	0.448
H3	-0.618	1.260	-0.992
Cl4	-2.278	-0.196	-0.027
C5	-0.667	0.457	-0.250
H6	1.763	1.403	-0.478
H7	2.188	0.957	1.192
C8	1.808	0.559	0.232
H9	3.802	-0.114	-0.411
H10	2.835	-1.377	0.412
H11	2.444	-0.911	-1.270
C12	2.784	-0.527	-0.292

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0971	3.1298	2.8927	2.1303	3.1376	2.6036	2.2599	3.9247	2.7249	3.2653	2.9152
C2	1.0971		2.1751	2.7408	1.3663	2.1569	2.1494	1.5182	3.4967	2.7846	2.8109	2.5376
H3	3.1298	2.1751		2.4094	1.0942	2.4397	3.5688	2.8065	4.6649	4.5661	3.7645	3.9061
Cl4	2.8927	2.7408	2.4094		1.7526	4.3691	4.7711	4.1637	6.0928	5.2665	4.9356	5.0800
C5	2.1303	1.3663	1.0942	1.7526		2.6175	3.2375	2.5239	4.5082	4.0085	3.5490	3.5890
H6	3.1376	2.1569	2.4397	4.3691	2.6175		1.7809	1.1046	2.5426	3.1105	2.5397	2.1919
H7	2.6036	2.1494	3.5688	4.7711	3.2375	1.7809		1.1068	2.5136	2.5445	3.1012	2.1813
C8	2.2599	1.5182	2.8065	4.1637	2.5239	1.1046	1.1068		2.1997	2.1987	2.1957	1.5506
H9	3.9247	3.4967	4.6649	6.0928	4.5082	2.5426	2.5136	2.1997		1.7910	1.7939	1.1050
H10	2.7249	2.7846	4.5661	5.2665	4.0085	3.1105	2.5445	2.1987	1.7910		1.7884	1.1048
H11	3.2653	2.8109	3.7645	4.9356	3.5490	2.5397	3.1012	2.1957	1.7939	1.7884		1.1046
C12	2.9152	2.5376	3.9061	5.0800	3.5890	2.1919	2.1813	1.5506	1.1050	1.1048	1.1046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.312	H1	C2	C8	118.680
C2	C5	H3	123.877	C2	C5	Cl4	122.509
C2	C8	H6	109.633	C2	C8	H7	108.924
C2	C8	C12	111.557	H3	C5	Cl4	113.613
C5	C2	C8	121.996	H6	C8	H7	107.280
H6	C8	C12	110.148	H7	C8	C12	109.193
C8	C12	H9	110.734	C8	C12	H10	110.664
C8	C12	H11	110.438	H9	C12	H10	108.284
H9	C12	H11	108.557	H10	C12	H11	108.078

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

using model chemistry: MP2/CEP-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 CHClCHCH2CH3 ((E)-1-Chloro-1-butene)

using model chemistry: MP2/CEP-31G*

States and conformations

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