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	hartrees
Energy at 0K	-615.874961
Energy at 298.15K	-615.881819
HF Energy	-615.064815
Nuclear repulsion energy	214.109373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3035	13.20
2	A'	3188	3019	11.31
3	A'	3182	3013	5.62
4	A'	3082	2919	23.25
5	A'	3080	2917	13.63
6	A'	1738	1646	11.57
7	A'	1532	1451	14.24
8	A'	1524	1444	0.34
9	A'	1453	1376	2.75
10	A'	1450	1374	7.92
11	A'	1349	1278	27.02
12	A'	1199	1136	27.55
13	A'	1136	1076	1.80
14	A'	1064	1007	13.14
15	A'	935	886	25.88
16	A'	641	607	18.42
17	A'	535	507	0.63
18	A'	348	330	0.35
19	A'	242	229	0.84
20	A"	3164	2997	9.96
21	A"	3148	2982	16.20
22	A"	1526	1446	9.94
23	A"	1508	1428	12.29
24	A"	1092	1034	0.24
25	A"	1069	1012	1.02
26	A"	810	767	19.12
27	A"	462	438	2.80
28	A"	253	240	2.62
29	A"	189	179	1.79
30	A"	63	59	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	0.360	2.624	0.000
Cl2	-1.293	-0.656	0.000
C3	1.839	-1.244	0.000
C4	-0.486	1.934	0.000
H5	-1.101	2.130	0.881
H6	-1.101	2.130	-0.881
C7	0.000	0.519	0.000
C8	1.287	0.145	0.000
H9	2.009	0.960	0.000
H10	1.049	-1.995	0.000
H11	2.468	-1.407	-0.880
H12	2.468	-1.407	0.880

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6735	4.1412	1.0914	1.7766	1.7766	2.1353	2.6465	2.3424	4.6697	4.6332	4.6332
Cl2	3.6735		3.1867	2.7135	2.9288	2.9288	1.7479	2.7016	3.6768	2.6980	3.9351	3.9351
C3	4.1412	3.1867		3.9375	4.5613	4.5613	2.5477	1.4949	2.2112	1.0889	1.0939	1.0939
C4	1.0914	2.7135	3.9375		1.0928	1.0928	1.4958	2.5182	2.6778	4.2178	4.5454	4.5454
H5	1.7766	2.9288	4.5613	1.0928		1.7628	2.1410	3.2278	3.4377	4.7343	5.3246	5.0249
H6	1.7766	2.9288	4.5613	1.0928	1.7628		2.1410	3.2278	3.4377	4.7343	5.0249	5.3246
C7	2.1353	1.7479	2.5477	1.4958	2.1410	2.1410		1.3399	2.0567	2.7241	3.2520	3.2520
C8	2.6465	2.7016	1.4949	2.5182	3.2278	3.2278	1.3399		1.0892	2.1526	2.1397	2.1397
H9	2.3424	3.6768	2.2112	2.6778	3.4377	3.4377	2.0567	1.0892		3.1067	2.5669	2.5669
H10	4.6697	2.6980	1.0889	4.2178	4.7343	4.7343	2.7241	2.1526	3.1067		1.7696	1.7696
H11	4.6332	3.9351	1.0939	4.5454	5.3246	5.0249	3.2520	2.1397	2.5669	1.7696		1.7596
H12	4.6332	3.9351	1.0939	4.5454	5.0249	5.3246	3.2520	2.1397	2.5669	1.7696	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.854	H1	C4	H6	108.854
H1	C4	C7	110.264	Cl2	C7	C4	113.325
Cl2	C7	C8	121.509	C3	C8	C7	127.889
C3	C8	H9	116.793	C4	C7	C8	125.166
H5	C4	H6	107.519	H5	C4	C7	110.639
H6	C4	C7	110.639	C7	C8	H9	115.319
C8	C3	H10	111.882	C8	C3	H11	110.529
C8	C3	H12	110.529	H10	C3	H11	108.330
H10	C3	H12	108.330	H11	C3	H12	107.080

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

using model chemistry: MP2=FULL/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 CH3CClCHCH3 (2-Butene, 2-chloro-, (Z)-)

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

States and conformations

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