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	hartrees
Energy at 0K	-615.852926
Energy at 298.15K	-615.859861
HF Energy	-615.037094
Nuclear repulsion energy	214.550684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3049	6.76
2	A'	3212	3034	5.16
3	A'	3206	3028	5.28
4	A'	3102	2930	22.68
5	A'	3101	2929	1.71
6	A'	1738	1642	9.70
7	A'	1520	1436	8.49
8	A'	1512	1428	0.28
9	A'	1432	1352	1.22
10	A'	1428	1349	3.99
11	A'	1330	1256	22.71
12	A'	1184	1119	28.00
13	A'	1130	1067	2.03
14	A'	1049	991	14.91
15	A'	925	874	24.09
16	A'	640	604	18.02
17	A'	529	499	0.76
18	A'	342	323	0.38
19	A'	238	225	1.27
20	A"	3188	3011	4.48
21	A"	3174	2998	9.13
22	A"	1515	1431	5.52
23	A"	1497	1414	8.58
24	A"	1081	1021	0.46
25	A"	1063	1004	1.11
26	A"	831	785	11.96
27	A"	472	446	0.72
28	A"	255	241	1.38
29	A"	198	187	1.41
30	A"	103	97	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	0.335	2.629	0.000
Cl2	-1.281	-0.663	0.000
C3	1.835	-1.235	0.000
C4	-0.502	1.930	0.000
H5	-1.120	2.119	0.880
H6	-1.120	2.119	-0.880
C7	0.000	0.523	0.000
C8	1.285	0.153	0.000
H9	2.001	0.970	0.000
H10	1.044	-1.983	0.000
H11	2.465	-1.398	-0.878
H12	2.465	-1.398	0.878

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6674	4.1447	1.0906	1.7759	1.7759	2.1320	2.6517	2.3507	4.6652	4.6388	4.6388
Cl2	3.6674		3.1679	2.7080	2.9226	2.9226	1.7460	2.6922	3.6657	2.6728	3.9166	3.9166
C3	4.1447	3.1679		3.9349	4.5562	4.5562	2.5415	1.4931	2.2113	1.0882	1.0928	1.0928
C4	1.0906	2.7080	3.9349		1.0919	1.0919	1.4941	2.5206	2.6812	4.2071	4.5444	4.5444
H5	1.7759	2.9226	4.5562	1.0919		1.7604	2.1392	3.2287	3.4405	4.7201	5.3210	5.0220
H6	1.7759	2.9226	4.5562	1.0919	1.7604		2.1392	3.2287	3.4405	4.7201	5.0220	5.3210
C7	2.1320	1.7460	2.5415	1.4941	2.1392	2.1392		1.3371	2.0502	2.7143	3.2461	3.2461
C8	2.6517	2.6922	1.4931	2.5206	3.2287	3.2287	1.3371		1.0866	2.1487	2.1373	2.1373
H9	2.3507	3.6657	2.2113	2.6812	3.4405	3.4405	2.0502	1.0866		3.1036	2.5676	2.5676
H10	4.6652	2.6728	1.0882	4.2071	4.7201	4.7201	2.7143	2.1487	3.1036		1.7697	1.7697
H11	4.6388	3.9166	1.0928	4.5444	5.3210	5.0220	3.2461	2.1373	2.5676	1.7697		1.7564
H12	4.6388	3.9166	1.0928	4.5444	5.0220	5.3210	3.2461	2.1373	2.5676	1.7697	1.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.914	H1	C4	H6	108.914
H1	C4	C7	110.173	Cl2	C7	C4	113.169
Cl2	C7	C8	121.101	C3	C8	C7	127.714
C3	C8	H9	117.136	C4	C7	C8	125.730
H5	C4	H6	107.439	H5	C4	C7	110.665
H6	C4	C7	110.665	C7	C8	H9	115.150
C8	C3	H10	111.734	C8	C3	H11	110.534
C8	C3	H12	110.534	H10	C3	H11	108.466
H10	C3	H12	108.466	H11	C3	H12	106.953

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)

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 CH3CClCHCH3 (2-Butene, 2-chloro-, (Z)-)

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

States and conformations

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)