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	hartrees
Energy at 0K	-616.662358
Energy at 298.15K	-616.669271
Nuclear repulsion energy	211.140658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3045	17.01
2	A'	3160	3026	7.36
3	A'	3150	3016	11.26
4	A'	3054	2925	19.92
5	A'	3047	2919	27.85
6	A'	1780	1705	13.35
7	A'	1534	1469	14.64
8	A'	1527	1462	1.05
9	A'	1463	1401	4.96
10	A'	1461	1399	9.94
11	A'	1353	1296	29.47
12	A'	1191	1140	31.52
13	A'	1134	1086	5.66
14	A'	1072	1026	24.42
15	A'	926	887	30.59
16	A'	578	553	34.67
17	A'	527	505	2.47
18	A'	340	325	0.78
19	A'	235	225	1.86
20	A"	3131	2999	12.32
21	A"	3108	2977	20.48
22	A"	1531	1467	11.83
23	A"	1511	1447	14.23
24	A"	1108	1061	3.05
25	A"	1096	1050	0.64
26	A"	848	813	16.69
27	A"	478	458	2.51
28	A"	251	240	2.97
29	A"	193	185	1.79
30	A"	112	107	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	0.191	2.677	0.000
Cl2	-1.278	-0.768	0.000
C3	1.923	-1.120	0.000
C4	-0.601	1.921	0.000
H5	-1.230	2.078	0.883
H6	-1.230	2.078	-0.883
C7	0.000	0.555	0.000
C8	1.296	0.237	0.000
H9	1.981	1.086	0.000
H10	1.173	-1.915	0.000
H11	2.563	-1.252	-0.882
H12	2.563	-1.252	0.882

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7449	4.1738	1.0950	1.7776	1.7776	2.1303	2.6791	2.3949	4.6955	4.6740	4.6740
Cl2	3.7449		3.2197	2.7725	2.9799	2.9799	1.8393	2.7629	3.7490	2.7058	3.9704	3.9704
C3	4.1738	3.2197		3.9520	4.5772	4.5772	2.5505	1.4947	2.2073	1.0919	1.0977	1.0977
C4	1.0950	2.7725	3.9520		1.0960	1.0960	1.4918	2.5368	2.7134	4.2258	4.5671	4.5671
H5	1.7776	2.9799	4.5772	1.0960		1.7667	2.1475	3.2487	3.4751	4.7430	5.3476	5.0479
H6	1.7776	2.9799	4.5772	1.0960	1.7667		2.1475	3.2487	3.4751	4.7430	5.0479	5.3476
C7	2.1303	1.8393	2.5505	1.4918	2.1475	2.1475		1.3348	2.0508	2.7343	3.2582	3.2582
C8	2.6791	2.7629	1.4947	2.5368	3.2487	3.2487	1.3348		1.0910	2.1546	2.1448	2.1448
H9	2.3949	3.7490	2.2073	2.7134	3.4751	3.4751	2.0508	1.0910		3.1074	2.5661	2.5661
H10	4.6955	2.7058	1.0919	4.2258	4.7430	4.7430	2.7343	2.1546	3.1074		1.7742	1.7742
H11	4.6740	3.9704	1.0977	4.5671	5.3476	5.0479	3.2582	2.1448	2.5661	1.7742		1.7634
H12	4.6740	3.9704	1.0977	4.5671	5.0479	5.3476	3.2582	2.1448	2.5661	1.7742	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.450	H1	C4	H6	108.450
H1	C4	C7	109.933	Cl2	C7	C4	112.252
Cl2	C7	C8	120.183	C3	C8	C7	128.596
C3	C8	H9	116.348	C4	C7	C8	127.565
H5	C4	H6	107.407	H5	C4	C7	111.247
H6	C4	C7	111.247	C7	C8	H9	115.056
C8	C3	H10	111.871	C8	C3	H11	110.715
C8	C3	H12	110.715	H10	C3	H11	108.243
H10	C3	H12	108.243	H11	C3	H12	106.876

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	0.180
2	Cl	0.022
3	C	-0.537
4	C	-0.508
5	H	0.195
6	H	0.195
7	C	-0.185
8	C	-0.090
9	H	0.170
10	H	0.200
11	H	0.179
12	H	0.179

	x	y	z	Total
	1.723	1.531	0.000	2.305
CHELPG
AIM
ESP

<r²>	175.651
(<r²>)^1/2	13.253

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)-)