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	hartrees
Energy at 0K	-40.690717
Energy at 298.15K	-40.697859
Nuclear repulsion energy	90.937108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3355	3013	47.61
2	A'	3341	3000	2.52
3	A'	3314	2976	31.76
4	A'	3231	2901	42.02
5	A'	3225	2896	58.86
6	A'	1909	1714	15.40
7	A'	1624	1458	6.32
8	A'	1614	1450	1.88
9	A'	1555	1397	2.27
10	A'	1550	1392	1.60
11	A'	1434	1288	34.30
12	A'	1270	1140	33.13
13	A'	1169	1049	2.54
14	A'	1132	1017	11.64
15	A'	978	879	31.91
16	A'	652	585	32.59
17	A'	553	496	0.34
18	A'	356	320	0.43
19	A'	247	222	1.24
20	A"	3299	2962	38.04
21	A"	3275	2941	53.38
22	A"	1618	1453	8.35
23	A"	1602	1439	7.75
24	A"	1174	1054	4.50
25	A"	1167	1048	0.84
26	A"	936	841	18.19
27	A"	505	454	3.14
28	A"	268	240	2.59
29	A"	208	187	1.88
30	A"	113	102	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	1.444	2.055	0.000
Cl2	-1.745	0.183	0.000
C3	0.593	-2.036	0.000
C4	0.362	1.940	0.000
H5	-0.047	2.434	0.882
H6	-0.047	2.434	-0.882
C7	0.000	0.468	0.000
C8	0.878	-0.547	0.000
H9	1.921	-0.256	0.000
H10	-0.472	-2.248	0.000
H11	1.042	-2.501	-0.880
H12	1.042	-2.501	0.880

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6980	4.1785	1.0890	1.7741	1.7741	2.1462	2.6632	2.3600	4.7106	4.6576	4.6576
Cl2	3.6980		3.2234	2.7428	2.9539	2.9539	1.7679	2.7232	3.6923	2.7449	3.9684	3.9684
C3	4.1785	3.2234		3.9826	4.6008	4.6008	2.5727	1.5156	2.2204	1.0856	1.0923	1.0923
C4	1.0890	2.7428	3.9826		1.0906	1.0906	1.5162	2.5405	2.6938	4.2704	4.5782	4.5782
H5	1.7741	2.9539	4.6008	1.0906		1.7641	2.1557	3.2440	3.4484	4.7835	5.3523	5.0538
H6	1.7741	2.9539	4.6008	1.0906	1.7641		2.1557	3.2440	3.4484	4.7835	5.0538	5.3523
C7	2.1462	1.7679	2.5727	1.5162	2.1557	2.1557		1.3423	2.0530	2.7566	3.2670	3.2670
C8	2.6632	2.7232	1.5156	2.5405	3.2440	3.2440	1.3423		1.0826	2.1715	2.1490	2.1490
H9	2.3600	3.6923	2.2204	2.6938	3.4484	3.4484	2.0530	1.0826		3.1133	2.5663	2.5663
H10	4.7106	2.7449	1.0856	4.2704	4.7835	4.7835	2.7566	2.1715	3.1133		1.7693	1.7693
H11	4.6576	3.9684	1.0923	4.5782	5.3523	5.0538	3.2670	2.1490	2.5663	1.7693		1.7609
H12	4.6576	3.9684	1.0923	4.5782	5.0538	5.3523	3.2670	2.1490	2.5663	1.7693	1.7609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.969	H1	C4	H6	108.969
H1	C4	C7	109.855	Cl2	C7	C4	113.047
Cl2	C7	C8	121.620	C3	C8	C7	128.275
C3	C8	H9	116.446	C4	C7	C8	125.333
H5	C4	H6	107.964	H5	C4	C7	110.518
H6	C4	C7	110.518	C7	C8	H9	115.279
C8	C3	H10	112.141	C8	C3	H11	109.921
C8	C3	H12	109.921	H10	C3	H11	108.655
H10	C3	H12	108.655	H11	C3	H12	107.418

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

using model chemistry: HF/CEP-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	0.142
2	Cl	-0.101
3	C	-0.375
4	C	-0.368
5	H	0.130
6	H	0.130
7	C	0.059
8	C	-0.290
9	H	0.284
10	H	0.165
11	H	0.113
12	H	0.113

	x	y	z
x	9.185	-1.260	0.000
y	-1.260	8.949	0.000
z	0.000	0.000	4.800

<r²>	128.611
(<r²>)^1/2	11.341

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

using model chemistry: HF/CEP-31G*

States and conformations

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