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	hartrees
Energy at 0K	-615.329039
Energy at 298.15K	-615.336093
HF Energy	-614.921949
Nuclear repulsion energy	196.537398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3263	3122	6.56
2	A	3186	3049	7.48
3	A	3152	3016	35.28
4	A	3146	3010	34.82
5	A	3092	2958	14.98
6	A	3061	2929	27.05
7	A	3047	2915	26.96
8	A	1683	1610	30.21
9	A	1576	1508	5.49
10	A	1572	1504	6.99
11	A	1559	1492	3.40
12	A	1484	1420	2.08
13	A	1410	1349	1.80
14	A	1356	1297	2.01
15	A	1343	1285	13.47
16	A	1299	1243	18.23
17	A	1174	1123	2.42
18	A	1138	1089	2.11
19	A	1060	1014	5.09
20	A	989	946	57.10
21	A	931	891	1.72
22	A	841	805	12.88
23	A	804	769	10.77
24	A	747	715	29.62
25	A	441	422	1.35
26	A	370	354	4.15
27	A	290	277	0.31
28	A	201	192	0.30
29	A	162	155	0.42
30	A	95	91	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	0.303	-0.810	1.141
C2	0.429	0.007	0.427
H3	-0.616	1.278	-0.978
Cl4	-2.327	-0.199	-0.024
C5	-0.635	0.474	-0.248
H6	1.807	1.394	-0.474
H7	2.203	0.951	1.192
C8	1.835	0.550	0.234
H9	3.828	-0.119	-0.398
H10	2.869	-1.380	0.414
H11	2.486	-0.915	-1.260
C12	2.817	-0.533	-0.284

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0924	3.1135	2.9410	2.1114	3.1187	2.5906	2.2400	3.9074	2.7268	3.2464	2.9026
C2	1.0924		2.1635	2.8003	1.3436	2.1527	2.1500	1.5193	3.4995	2.8066	2.8153	2.5491
H3	3.1135	2.1635		2.4529	1.0858	2.4779	3.5724	2.8295	4.6940	4.5988	3.8094	3.9427
Cl4	2.9410	2.8003	2.4529		1.8348	4.4531	4.8290	4.2365	6.1665	5.3465	5.0205	5.1610
C5	2.1114	1.3436	1.0858	1.8348		2.6191	3.2176	2.5173	4.5040	4.0189	3.5625	3.5954
H6	3.1187	2.1527	2.4779	4.4531	2.6191		1.7687	1.1019	2.5250	3.1003	2.5318	2.1837
H7	2.5906	2.1500	3.5724	4.8290	3.2176	1.7687		1.1021	2.5123	2.5459	3.0940	2.1814
C8	2.2400	1.5193	2.8295	4.2365	2.5173	1.1019	1.1021		2.1947	2.1968	2.1909	1.5507
H9	3.9074	3.4995	4.6940	6.1665	4.5040	2.5250	2.5123	2.1947		1.7807	1.7825	1.0987
H10	2.7268	2.8066	4.5988	5.3465	4.0189	3.1003	2.5459	2.1968	1.7807		1.7793	1.0992
H11	3.2464	2.8153	3.8094	5.0205	3.5625	2.5318	3.0940	2.1909	1.7825	1.7793		1.0985
C12	2.9026	2.5491	3.9427	5.1610	3.5954	2.1837	2.1814	1.5507	1.0987	1.0992	1.0985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.819	H1	C2	C8	117.181
C2	C5	H3	125.555	C2	C5	Cl4	122.779
C2	C8	H6	109.391	C2	C8	H7	109.169
C2	C8	C12	112.264	H3	C5	Cl4	111.666
C5	C2	C8	122.994	H6	C8	H7	106.732
H6	C8	C12	109.661	H7	C8	C12	109.468
C8	C12	H9	110.709	C8	C12	H10	110.842
C8	C12	H11	110.418	H9	C12	H10	108.229
H9	C12	H11	108.439	H10	C12	H11	108.113

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

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

using model chemistry: MP2/6-31G

States and conformations

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