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	hartrees
Energy at 0K	-615.740109
Energy at 298.15K	-615.747274
HF Energy	-615.018782
Nuclear repulsion energy	201.496370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	3081	9.96
2	A	3253	3040	6.86
3	A	3235	3023	26.65
4	A	3228	3017	26.93
5	A	3179	2971	11.90
6	A	3132	2927	24.56
7	A	3123	2918	23.02
8	A	1724	1611	29.10
9	A	1567	1464	3.71
10	A	1561	1458	5.60
11	A	1540	1439	2.80
12	A	1465	1369	1.18
13	A	1401	1309	1.47
14	A	1358	1269	13.98
15	A	1337	1250	4.21
16	A	1297	1212	6.86
17	A	1181	1103	0.84
18	A	1126	1052	1.48
19	A	1079	1008	8.84
20	A	991	926	41.78
21	A	944	882	4.08
22	A	877	820	45.36
23	A	815	761	2.69
24	A	779	728	3.46
25	A	453	424	1.44
26	A	388	362	2.34
27	A	306	286	0.25
28	A	211	197	0.22
29	A	172	160	0.30
30	A	98	92	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	0.283	-0.786	1.165
C2	0.407	0.007	0.437
H3	-0.601	1.224	-0.984
Cl4	-2.251	-0.192	-0.026
C5	-0.655	0.440	-0.244
H6	1.744	1.377	-0.489
H7	2.159	0.963	1.161
C8	1.784	0.551	0.222
H9	3.751	-0.115	-0.410
H10	2.811	-1.348	0.424
H11	2.415	-0.919	-1.236
C12	2.750	-0.521	-0.280

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0837	3.0734	2.8631	2.0907	3.0905	2.5648	2.2204	3.8670	2.6930	3.2132	2.8708
C2	1.0837		2.1256	2.7052	1.3337	2.1272	2.1237	1.4967	3.4518	2.7598	2.7727	2.5065
H3	3.0734	2.1256		2.3762	1.0797	2.4021	3.5057	2.7567	4.5895	4.4996	3.7087	3.8433
Cl4	2.8631	2.7052	2.3762		1.7307	4.3175	4.7109	4.1108	6.0150	5.2123	4.8753	5.0184
C5	2.0907	1.3337	1.0797	1.7307		2.5873	3.1884	2.4859	4.4438	3.9572	3.5010	3.5381
H6	3.0905	2.1272	2.4021	4.3175	2.5873		1.7512	1.0908	2.5016	3.0660	2.5059	2.1581
H7	2.5648	2.1237	3.5057	4.7109	3.1884	1.7512		1.0920	2.4825	2.5119	3.0582	2.1515
C8	2.2204	1.4967	2.7567	4.1108	2.4859	1.0908	1.0920		2.1700	2.1683	2.1640	1.5275
H9	3.8670	3.4518	4.5895	6.0150	4.4438	2.5016	2.4825	2.1700		1.7610	1.7646	1.0882
H10	2.6930	2.7598	4.4996	5.2123	3.9572	3.0660	2.5119	2.1683	1.7610		1.7600	1.0885
H11	3.2132	2.7727	3.7087	4.8753	3.5010	2.5059	3.0582	2.1640	1.7646	1.7600		1.0878
C12	2.8708	2.5065	3.8433	5.0184	3.5381	2.1581	2.1515	1.5275	1.0882	1.0885	1.0878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.374	H1	C2	C8	117.851
C2	C5	H3	123.128	C2	C5	Cl4	123.449
C2	C8	H6	109.588	C2	C8	H7	109.243
C2	C8	C12	111.951	H3	C5	Cl4	113.423
C5	C2	C8	122.764	H6	C8	H7	106.697
H6	C8	C12	109.902	H7	C8	C12	109.317
C8	C12	H9	111.008	C8	C12	H10	110.852
C8	C12	H11	110.551	H9	C12	H10	108.003
H9	C12	H11	108.378	H10	C12	H11	107.938

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

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

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