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	hartrees
Energy at 0K	-616.812104
Energy at 298.15K	-616.819055
Nuclear repulsion energy	214.632006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3038	16.04
2	A'	3167	3023	1.79
3	A'	3157	3014	10.42
4	A'	3060	2921	18.05
5	A'	3054	2916	22.42
6	A'	1769	1689	11.41
7	A'	1492	1425	7.92
8	A'	1482	1415	1.04
9	A'	1415	1351	2.48
10	A'	1409	1345	2.80
11	A'	1321	1261	23.67
12	A'	1172	1119	30.66
13	A'	1121	1071	4.09
14	A'	1040	992	17.02
15	A'	915	874	27.76
16	A'	628	600	23.98
17	A'	529	506	0.49
18	A'	341	325	0.52
19	A'	234	223	1.49
20	A"	3131	2989	8.28
21	A"	3112	2971	14.15
22	A"	1485	1418	5.53
23	A"	1470	1403	9.07
24	A"	1072	1023	0.89
25	A"	1060	1012	1.06
26	A"	834	796	11.17
27	A"	484	462	0.91
28	A"	254	243	1.56
29	A"	196	187	1.41
30	A"	122	116	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	0.324	2.630	0.000
Cl2	-1.279	-0.671	0.000
C3	1.843	-1.220	0.000
C4	-0.510	1.925	0.000
H5	-1.130	2.115	0.880
H6	-1.130	2.115	-0.880
C7	0.000	0.523	0.000
C8	1.278	0.157	0.000
H9	1.993	0.977	0.000
H10	1.063	-1.980	0.000
H11	2.478	-1.377	-0.878
H12	2.478	-1.377	0.878

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6698	4.1387	1.0919	1.7762	1.7762	2.1309	2.6498	2.3490	4.6686	4.6330	4.6330
Cl2	3.6698		3.1705	2.7076	2.9261	2.9261	1.7505	2.6881	3.6643	2.6826	3.9228	3.9228
C3	4.1387	3.1705		3.9276	4.5543	4.5543	2.5373	1.4890	2.2022	1.0899	1.0951	1.0951
C4	1.0919	2.7076	3.9276		1.0939	1.0939	1.4909	2.5136	2.6764	4.2094	4.5387	4.5387
H5	1.7762	2.9261	4.5543	1.0939		1.7606	2.1415	3.2261	3.4392	4.7282	5.3208	5.0217
H6	1.7762	2.9261	4.5543	1.0939	1.7606		2.1415	3.2261	3.4392	4.7282	5.0217	5.3208
C7	2.1309	1.7505	2.5373	1.4909	2.1415	2.1415		1.3293	2.0443	2.7198	3.2443	3.2443
C8	2.6498	2.6881	1.4890	2.5136	3.2261	3.2261	1.3293		1.0879	2.1485	2.1370	2.1370
H9	2.3490	3.6643	2.2022	2.6764	3.4392	3.4392	2.0443	1.0879		3.1003	2.5589	2.5589
H10	4.6686	2.6826	1.0899	4.2094	4.7282	4.7282	2.7198	2.1485	3.1003		1.7721	1.7721
H11	4.6330	3.9228	1.0951	4.5387	5.3208	5.0217	3.2443	2.1370	2.5589	1.7721		1.7568
H12	4.6330	3.9228	1.0951	4.5387	5.0217	5.3208	3.2443	2.1370	2.5589	1.7721	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.707	H1	C4	H6	108.707
H1	C4	C7	110.230	Cl2	C7	C4	113.057
Cl2	C7	C8	120.967	C3	C8	C7	128.305
C3	C8	H9	116.561	C4	C7	C8	125.975
H5	C4	H6	107.178	H5	C4	C7	110.961
H6	C4	C7	110.961	C7	C8	H9	115.133
C8	C3	H10	111.907	C8	C3	H11	110.654
C8	C3	H12	110.654	H10	C3	H11	108.390
H10	C3	H12	108.390	H11	C3	H12	106.665

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.156
2	Cl	-0.162
3	C	-0.498
4	C	-0.510
5	H	0.169
6	H	0.169
7	C	0.186
8	C	-0.128
9	H	0.131
10	H	0.172
11	H	0.157
12	H	0.157

	x	y	z	Total
	1.359	1.091	0.000	1.742
CHELPG
AIM
ESP

	x	y	z
x	10.598	-0.620	0.000
y	-0.620	8.810	0.000
z	0.000	0.000	5.590

<r²>	170.840
(<r²>)^1/2	13.071

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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