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	hartrees
Energy at 0K	-41.678307
Energy at 298.15K	-41.685140
Nuclear repulsion energy	89.745930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	3043	25.13
2	A'	3098	3019	19.07
3	A'	3088	3009	14.96
4	A'	2993	2917	30.58
5	A'	2987	2911	41.52
6	A'	1716	1672	14.40
7	A'	1516	1477	13.10
8	A'	1509	1470	0.79
9	A'	1439	1403	2.23
10	A'	1437	1400	9.06
11	A'	1325	1291	28.81
12	A'	1161	1131	32.08
13	A'	1095	1067	5.10
14	A'	1050	1023	19.83
15	A'	898	875	33.33
16	A'	556	542	34.57
17	A'	510	497	2.05
18	A'	327	318	0.74
19	A'	228	222	1.80
20	A"	3075	2997	23.67
21	A"	3048	2971	35.90
22	A"	1515	1476	11.27
23	A"	1491	1453	13.77
24	A"	1088	1060	0.25
25	A"	1075	1047	1.29
26	A"	832	811	18.34
27	A"	457	446	3.59
28	A"	244	238	2.96
29	A"	188	184	2.03
30	A"	109	106	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	1.273	2.215	0.000
Cl2	-1.803	0.017	0.000
C3	0.769	-1.984	0.000
C4	0.201	1.984	0.000
H5	-0.258	2.442	0.886
H6	-0.258	2.442	-0.886
C7	0.000	0.483	0.000
C8	0.949	-0.479	0.000
H9	1.979	-0.110	0.000
H10	-0.287	-2.265	0.000
H11	1.248	-2.429	-0.884
H12	1.248	-2.429	0.884

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7807	4.2287	1.0972	1.7832	1.7832	2.1497	2.7130	2.4303	4.7441	4.7273	4.7273
Cl2	3.7807		3.2583	2.8075	3.0088	3.0088	1.8621	2.7960	3.7840	2.7396	4.0088	4.0088
C3	4.2287	3.2583		4.0077	4.6287	4.6287	2.5835	1.5156	2.2298	1.0931	1.0998	1.0998
C4	1.0972	2.8075	4.0077		1.0976	1.0976	1.5142	2.5735	2.7475	4.2768	4.6205	4.6205
H5	1.7832	3.0088	4.6287	1.0976		1.7714	2.1655	3.2819	3.5076	4.7899	5.3967	5.0982
H6	1.7832	3.0088	4.6287	1.0976	1.7714		2.1655	3.2819	3.5076	4.7899	5.0982	5.3967
C7	2.1497	1.8621	2.5835	1.5142	2.1655	2.1655		1.3508	2.0661	2.7630	3.2889	3.2889
C8	2.7130	2.7960	1.5156	2.5735	3.2819	3.2819	1.3508		1.0939	2.1725	2.1621	2.1621
H9	2.4303	3.7840	2.2298	2.7475	3.5076	3.5076	2.0661	1.0939		3.1270	2.5867	2.5867
H10	4.7441	2.7396	1.0931	4.2768	4.7899	4.7899	2.7630	2.1725	3.1270		1.7791	1.7791
H11	4.7273	4.0088	1.0998	4.6205	5.3967	5.0982	3.2889	2.1621	2.5867	1.7791		1.7686
H12	4.7273	4.0088	1.0998	4.6205	5.0982	5.3967	3.2889	2.1621	2.5867	1.7791	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.678	H1	C4	H6	108.678
H1	C4	C7	109.782	Cl2	C7	C4	112.104
Cl2	C7	C8	120.132	C3	C8	C7	128.564
C3	C8	H9	116.476	C4	C7	C8	127.765
H5	C4	H6	107.599	H5	C4	C7	111.013
H6	C4	C7	111.013	C7	C8	H9	114.960
C8	C3	H10	111.744	C8	C3	H11	110.508
C8	C3	H12	110.508	H10	C3	H11	108.445
H10	C3	H12	108.445	H11	C3	H12	107.040

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

using model chemistry: B3LYP/CEP-121G

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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Number	Element	Mulliken
1	H	0.169
2	Cl	0.006
3	C	-0.607
4	C	-0.584
5	H	0.176
6	H	0.176
7	C	-0.030
8	C	0.021
9	H	0.165
10	H	0.186
11	H	0.161
12	H	0.161

	x	y	z	Total
	2.253	0.422	0.000	2.292
CHELPG
AIM
ESP

	x	y	z
x	10.463	-1.104	0.000
y	-1.104	9.859	0.000
z	0.000	0.000	5.380

<r²>	131.489
(<r²>)^1/2	11.467

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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