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	hartrees
Energy at 0K	-616.725141
Energy at 298.15K	-616.732051
Nuclear repulsion energy	213.726776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3040	18.42
2	A'	3158	3026	3.58
3	A'	3150	3019	10.79
4	A'	3053	2926	19.68
5	A'	3046	2920	25.20
6	A'	1761	1688	12.72
7	A'	1499	1436	8.65
8	A'	1489	1427	1.12
9	A'	1421	1362	2.77
10	A'	1417	1358	3.53
11	A'	1321	1266	26.14
12	A'	1171	1122	31.64
13	A'	1116	1070	4.33
14	A'	1041	997	18.33
15	A'	915	877	28.91
16	A'	618	592	27.32
17	A'	528	506	0.29
18	A'	344	329	0.60
19	A'	234	225	1.54
20	A"	3124	2994	11.13
21	A"	3104	2975	17.69
22	A"	1492	1430	6.89
23	A"	1476	1415	9.83
24	A"	1071	1026	1.15
25	A"	1056	1012	0.81
26	A"	825	790	12.87
27	A"	478	458	1.39
28	A"	253	242	1.96
29	A"	193	185	1.76
30	A"	117	112	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.326	2.636	0.000
Cl2	-1.287	-0.678	0.000
C3	1.855	-1.219	0.000
C4	-0.510	1.931	0.000
H5	-1.130	2.123	0.882
H6	-1.130	2.123	-0.882
C7	0.000	0.526	0.000
C8	1.284	0.160	0.000
H9	1.998	0.984	0.000
H10	1.076	-1.983	0.000
H11	2.490	-1.374	-0.880
H12	2.490	-1.374	0.880

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6854	4.1468	1.0933	1.7777	1.7777	2.1348	2.6547	2.3508	4.6796	4.6413	4.6413
Cl2	3.6854		3.1883	2.7222	2.9411	2.9411	1.7626	2.7041	3.6815	2.6998	3.9409	3.9409
C3	4.1468	3.1883		3.9389	4.5671	4.5671	2.5464	1.4924	2.2070	1.0913	1.0967	1.0967
C4	1.0933	2.7222	3.9389		1.0953	1.0953	1.4949	2.5210	2.6812	4.2236	4.5502	4.5502
H5	1.7777	2.9411	4.5671	1.0953		1.7646	2.1465	3.2342	3.4442	4.7445	5.3337	5.0341
H6	1.7777	2.9411	4.5671	1.0953	1.7646		2.1465	3.2342	3.4442	4.7445	5.0341	5.3337
C7	2.1348	1.7626	2.5464	1.4949	2.1465	2.1465		1.3348	2.0496	2.7302	3.2538	3.2538
C8	2.6547	2.7041	1.4924	2.5210	3.2342	3.2342	1.3348		1.0902	2.1533	2.1412	2.1412
H9	2.3508	3.6815	2.2070	2.6812	3.4442	3.4442	2.0496	1.0902		3.1069	2.5645	2.5645
H10	4.6796	2.6998	1.0913	4.2236	4.7445	4.7445	2.7302	2.1533	3.1069		1.7737	1.7737
H11	4.6413	3.9409	1.0967	4.5502	5.3337	5.0341	3.2538	2.1412	2.5645	1.7737		1.7601
H12	4.6413	3.9409	1.0967	4.5502	5.0341	5.3337	3.2538	2.1412	2.5645	1.7737	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.636	H1	C4	H6	108.636
H1	C4	C7	110.168	Cl2	C7	C4	113.117
Cl2	C7	C8	121.005	C3	C8	C7	128.413
C3	C8	H9	116.570	C4	C7	C8	125.877
H5	C4	H6	107.328	H5	C4	C7	110.989
H6	C4	C7	110.989	C7	C8	H9	115.017
C8	C3	H10	111.971	C8	C3	H11	110.660
C8	C3	H12	110.660	H10	C3	H11	108.317
H10	C3	H12	108.317	H11	C3	H12	106.731

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

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	H	0.144
2	Cl	-0.033
3	C	-0.431
4	C	-0.408
5	H	0.159
6	H	0.159
7	C	-0.089
8	C	-0.081
9	H	0.127
10	H	0.160
11	H	0.146
12	H	0.146

	x	y	z	Total
	1.397	1.121	0.000	1.791
CHELPG
AIM
ESP

<r²>	172.183
(<r²>)^1/2	13.122

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

using model chemistry: B3PW91/6-31G**

States and conformations

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