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	hartrees
Energy at 0K	-616.908384
Energy at 298.15K	-616.915290
HF Energy	-616.908384
Nuclear repulsion energy	213.236795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3033	19.89
2	A'	3126	3018	1.98
3	A'	3112	3004	13.15
4	A'	3033	2928	21.12
5	A'	3026	2921	26.09
6	A'	1738	1678	14.83
7	A'	1497	1445	9.84
8	A'	1487	1436	1.75
9	A'	1423	1374	2.28
10	A'	1419	1370	4.01
11	A'	1328	1283	25.03
12	A'	1163	1123	29.32
13	A'	1093	1055	6.14
14	A'	1046	1010	14.76
15	A'	905	874	31.94
16	A'	595	574	30.18
17	A'	526	508	0.19
18	A'	343	331	0.70
19	A'	235	227	1.54
20	A"	3088	2981	11.25
21	A"	3066	2960	18.47
22	A"	1492	1441	7.53
23	A"	1475	1424	11.14
24	A"	1077	1040	0.09
25	A"	1067	1030	1.60
26	A"	831	802	15.46
27	A"	476	460	2.39
28	A"	253	244	2.01
29	A"	192	185	1.80
30	A"	109	105	0.17

Atom	x (Å)	y (Å)	z (Å)
H1	0.574	2.523	0.000
Cl2	-1.343	-0.566	0.000
C3	1.780	-1.328	0.000
C4	-0.338	1.927	0.000
H5	-0.921	2.195	0.880
H6	-0.921	2.195	-0.880
C7	0.000	0.488	0.000
C8	1.278	0.070	0.000
H9	2.007	0.829	0.000
H10	0.975	-2.048	0.000
H11	2.400	-1.508	-0.878
H12	2.400	-1.508	0.878

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6350	4.0350	1.0890	1.7649	1.7649	2.1137	2.5518	2.2186	4.5879	4.5116	4.5116
Cl2	3.6350		3.2146	2.6877	2.9286	2.9286	1.7075	2.6970	3.6290	2.7513	3.9589	3.9589
C3	4.0350	3.2146		3.8828	4.5253	4.5253	2.5428	1.4852	2.1689	1.0798	1.0904	1.0904
C4	1.0890	2.6877	3.8828		1.0893	1.0893	1.4775	2.4613	2.5889	4.1856	4.4795	4.4795
H5	1.7649	2.9286	4.5253	1.0893		1.7608	2.1297	3.1819	3.3483	4.7297	5.2758	4.9740
H6	1.7649	2.9286	4.5253	1.0893	1.7608		2.1297	3.1819	3.3483	4.7297	4.9740	5.2758
C7	2.1137	1.7075	2.5428	1.4775	2.1297	2.1297		1.3445	2.0357	2.7170	3.2432	3.2432
C8	2.5518	2.6970	1.4852	2.4613	3.1819	3.1819	1.3445		1.0526	2.1392	2.1263	2.1263
H9	2.2186	3.6290	2.1689	2.5889	3.3483	3.3483	2.0357	1.0526		3.0564	2.5276	2.5276
H10	4.5879	2.7513	1.0798	4.1856	4.7297	4.7297	2.7170	2.1392	3.0564		1.7590	1.7590
H11	4.5116	3.9589	1.0904	4.4795	5.2758	4.9740	3.2432	2.1263	2.5276	1.7590		1.7566
H12	4.5116	3.9589	1.0904	4.4795	4.9740	5.2758	3.2432	2.1263	2.5276	1.7590	1.7566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.232	H1	C4	H6	108.232
H1	C4	C7	109.958	Cl2	C7	C4	114.906
Cl2	C7	C8	123.745	C3	C8	C7	127.884
C3	C8	H9	116.405	C4	C7	C8	121.348
H5	C4	H6	107.839	H5	C4	C7	111.235
H6	C4	C7	111.235	C7	C8	H9	115.711
C8	C3	H10	112.058	C8	C3	H11	110.358
C8	C3	H12	110.358	H10	C3	H11	108.297
H10	C3	H12	108.297	H11	C3	H12	107.320

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

using model chemistry: B3LYP/TZVP

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	0.123
2	Cl	-0.113
3	C	-0.363
4	C	-0.323
5	H	0.137
6	H	0.137
7	C	-0.048
8	C	-0.073
9	H	0.135
10	H	0.136
11	H	0.127
12	H	0.127

	x	y	z	Total
	1.370	1.145	0.000	1.785
CHELPG
AIM
ESP

	x	y	z
x	11.341	-0.580	0.000
y	-0.580	9.309	0.000
z	0.000	0.000	6.247

<r²>	173.478
(<r²>)^1/2	13.171

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

using model chemistry: B3LYP/TZVP

States and conformations

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