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	hartrees
Energy at 0K	-615.076839
Energy at 298.15K	-615.084047
Nuclear repulsion energy	214.280341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	2995	29.50
2	A'	3279	2979	1.37
3	A'	3253	2956	20.08
4	A'	3174	2883	27.05
5	A'	3166	2876	37.46
6	A'	1895	1721	12.84
7	A'	1612	1465	8.10
8	A'	1603	1456	2.25
9	A'	1544	1402	1.62
10	A'	1537	1397	0.80
11	A'	1435	1304	30.89
12	A'	1261	1146	33.09
13	A'	1158	1052	2.45
14	A'	1132	1029	14.35
15	A'	971	882	32.97
16	A'	644	585	33.68
17	A'	561	510	0.08
18	A'	366	333	0.53
19	A'	252	229	1.13
20	A"	3234	2938	22.96
21	A"	3209	2916	33.37
22	A"	1606	1459	8.02
23	A"	1591	1445	8.48
24	A"	1171	1064	2.27
25	A"	1164	1058	0.44
26	A"	922	838	14.85
27	A"	522	474	3.52
28	A"	272	247	2.34
29	A"	210	191	1.37
30	A"	107	97	0.00

Atom	x (Å)	y (Å)	z (Å)
H1	0.295	2.631	0.000
Cl2	-1.282	-0.689	0.000
C3	1.872	-1.199	0.000
C4	-0.527	1.925	0.000
H5	-1.141	2.101	0.877
H6	-1.141	2.101	-0.877
C7	0.000	0.521	0.000
C8	1.269	0.174	0.000
H9	1.970	0.994	0.000
H10	1.122	-1.977	0.000
H11	2.503	-1.328	-0.875
H12	2.503	-1.328	0.875

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6753	4.1417	1.0836	1.7642	1.7642	2.1306	2.6428	2.3410	4.6813	4.6167	4.6167
Cl2	3.6753		3.1950	2.7205	2.9279	2.9279	1.7626	2.6931	3.6616	2.7277	3.9373	3.9373
C3	4.1417	3.1950		3.9385	4.5538	4.5538	2.5420	1.4995	2.1958	1.0803	1.0868	1.0868
C4	1.0836	2.7205	3.9385		1.0851	1.0851	1.4996	2.5081	2.6640	4.2358	4.5307	4.5307
H5	1.7642	2.9279	4.5538	1.0851		1.7540	2.1373	3.2080	3.4159	4.7456	5.3018	5.0039
H6	1.7642	2.9279	4.5538	1.0851	1.7540		2.1373	3.2080	3.4159	4.7456	5.0039	5.3018
C7	2.1306	1.7626	2.5420	1.4996	2.1373	2.1373		1.3156	2.0258	2.7382	3.2326	3.2326
C8	2.6428	2.6931	1.4995	2.5081	3.2080	3.2080	1.3156		1.0789	2.1558	2.1319	2.1319
H9	2.3410	3.6616	2.1958	2.6640	3.4159	3.4159	2.0258	1.0789		3.0899	2.5388	2.5388
H10	4.6813	2.7277	1.0803	4.2358	4.7456	4.7456	2.7382	2.1558	3.0899		1.7589	1.7589
H11	4.6167	3.9373	1.0868	4.5307	5.3018	5.0039	3.2326	2.1319	2.5388	1.7589		1.7504
H12	4.6167	3.9373	1.0868	4.5307	5.0039	5.3018	3.2326	2.1319	2.5388	1.7589	1.7504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.874	H1	C4	H6	108.874
H1	C4	C7	110.093	Cl2	C7	C4	112.766
Cl2	C7	C8	121.384	C3	C8	C7	128.988
C3	C8	H9	115.813	C4	C7	C8	125.850
H5	C4	H6	107.844	H5	C4	C7	110.548
H6	C4	C7	110.548	C7	C8	H9	115.199
C8	C3	H10	112.354	C8	C3	H11	110.015
C8	C3	H12	110.015	H10	C3	H11	108.511
H10	C3	H12	108.511	H11	C3	H12	107.284

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

using model chemistry: HF/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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Number	Element	Mulliken
1	H	0.098
2	Cl	-0.141
3	C	-0.202
4	C	-0.132
5	H	0.119
6	H	0.119
7	C	-0.215
8	C	-0.089
9	H	0.108
10	H	0.129
11	H	0.103
12	H	0.103

	x	y	z	Total
	1.666	1.265	0.000	2.092
CHELPG
AIM
ESP

	x	y	z
x	10.564	-0.388	0.000
y	-0.388	8.246	0.000
z	0.000	0.000	5.174

<r²>	172.456
(<r²>)^1/2	13.132

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

using model chemistry: HF/6-311G**

States and conformations

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