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	hartrees
Energy at 0K	-612.426439
Energy at 298.15K	-612.433253
HF Energy	-611.962591
Nuclear repulsion energy	208.883972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3037	10.92
2	A'	3114	3018	5.46
3	A'	3099	3003	9.74
4	A'	3031	2937	14.76
5	A'	3030	2936	15.23
6	A'	1741	1687	9.28
7	A'	1572	1524	9.40
8	A'	1565	1517	0.43
9	A'	1481	1436	5.05
10	A'	1478	1433	4.49
11	A'	1377	1334	26.45
12	A'	1185	1149	21.30
13	A'	1096	1062	13.85
14	A'	1055	1022	7.40
15	A'	906	878	25.45
16	A'	551	534	21.40
17	A'	510	494	4.69
18	A'	326	316	0.54
19	A'	239	232	1.60
20	A"	3096	3001	10.55
21	A"	3077	2982	17.67
22	A"	1573	1525	8.01
23	A"	1552	1504	8.72
24	A"	1128	1093	1.05
25	A"	1116	1082	1.14
26	A"	852	826	14.52
27	A"	451	437	1.83
28	A"	243	236	2.40
29	A"	185	179	1.21
30	A"	96	93	0.02

Atom	x (Å)	y (Å)	z (Å)
H1	0.124	2.709	0.000
Cl2	-1.272	-0.816	0.000
C3	1.963	-1.086	0.000
C4	-0.654	1.932	0.000
H5	-1.285	2.056	0.891
H6	-1.285	2.056	-0.891
C7	0.000	0.567	0.000
C8	1.305	0.285	0.000
H9	1.983	1.143	0.000
H10	1.206	-1.878	0.000
H11	2.599	-1.202	-0.890
H12	2.599	-1.202	0.890

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7912	4.2182	1.0997	1.7900	1.7900	2.1458	2.6971	2.4314	4.7132	4.7141	4.7141
Cl2	3.7912		3.2465	2.8160	3.0071	3.0071	1.8788	2.8019	3.7987	2.6957	3.9909	3.9909
C3	4.2182	3.2465		3.9949	4.6068	4.6068	2.5668	1.5210	2.2293	1.0956	1.1003	1.1003
C4	1.0997	2.8160	3.9949		1.0988	1.0988	1.5132	2.5592	2.7525	4.2393	4.6041	4.6041
H5	1.7900	3.0071	4.6068	1.0988		1.7817	2.1594	3.2619	3.5084	4.7409	5.3739	5.0701
H6	1.7900	3.0071	4.6068	1.0988	1.7817		2.1594	3.2619	3.5084	4.7409	5.0701	5.3739
C7	2.1458	1.8788	2.5668	1.5132	2.1594	2.1594		1.3350	2.0648	2.7262	3.2679	3.2679
C8	2.6971	2.8019	1.5210	2.5592	3.2619	3.2619	1.3350		1.0938	2.1649	2.1632	2.1632
H9	2.4314	3.7987	2.2293	2.7525	3.5084	3.5084	2.0648	1.0938		3.1192	2.5831	2.5831
H10	4.7132	2.6957	1.0956	4.2393	4.7409	4.7409	2.7262	2.1649	3.1192		1.7863	1.7863
H11	4.7141	3.9909	1.1003	4.6041	5.3739	5.0701	3.2679	2.1632	2.5831	1.7863		1.7809
H12	4.7141	3.9909	1.1003	4.6041	5.0701	5.3739	3.2679	2.1632	2.5831	1.7863	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	109.016	H1	C4	H6	109.016
H1	C4	C7	109.399	Cl2	C7	C4	111.783
Cl2	C7	C8	120.394	C3	C8	C7	127.867
C3	C8	H9	116.029	C4	C7	C8	127.823
H5	C4	H6	108.332	H5	C4	C7	110.521
H6	C4	C7	110.521	C7	C8	H9	116.105
C8	C3	H10	110.602	C8	C3	H11	110.190
C8	C3	H12	110.190	H10	C3	H11	108.873
H10	C3	H12	108.873	H11	C3	H12	108.054

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

using model chemistry: QCISD/3-21G

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

using model chemistry: QCISD/3-21G

States and conformations

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