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	hartrees
Energy at 0K	-616.772464
Energy at 298.15K	-616.779364
Nuclear repulsion energy	213.935582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3035	24.54
2	A'	3137	3020	4.60
3	A'	3128	3012	12.90
4	A'	3041	2928	23.28
5	A'	3034	2921	28.46
6	A'	1752	1687	13.60
7	A'	1505	1449	12.54
8	A'	1495	1439	1.38
9	A'	1424	1371	2.82
10	A'	1421	1368	5.54
11	A'	1328	1278	28.06
12	A'	1172	1128	31.94
13	A'	1114	1072	5.05
14	A'	1045	1006	16.59
15	A'	913	879	31.62
16	A'	613	590	29.15
17	A'	529	509	0.19
18	A'	344	331	0.56
19	A'	236	227	1.08
20	A"	3103	2987	14.71
21	A"	3082	2967	21.88
22	A"	1499	1443	9.82
23	A"	1483	1427	12.38
24	A"	1075	1034	0.95
25	A"	1061	1021	0.83
26	A"	823	792	17.18
27	A"	479	461	3.51
28	A"	253	243	2.80
29	A"	192	184	1.91
30	A"	106	102	0.05

Atom	x (Å)	y (Å)	z (Å)
H1	0.313	2.637	0.000
Cl2	-1.285	-0.681	0.000
C3	1.858	-1.210	0.000
C4	-0.516	1.926	0.000
H5	-1.136	2.116	0.881
H6	-1.136	2.116	-0.881
C7	0.000	0.526	0.000
C8	1.280	0.164	0.000
H9	1.994	0.988	0.000
H10	1.090	-1.984	0.000
H11	2.495	-1.362	-0.879
H12	2.495	-1.362	0.879

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6828	4.1458	1.0923	1.7748	1.7748	2.1341	2.6554	2.3543	4.6851	4.6394	4.6394
Cl2	3.6828		3.1876	2.7180	2.9361	2.9361	1.7630	2.7008	3.6789	2.7087	3.9402	3.9402
C3	4.1458	3.1876		3.9337	4.5616	4.5616	2.5431	1.4907	2.2022	1.0900	1.0957	1.0957
C4	1.0923	2.7180	3.9337		1.0943	1.0943	1.4922	2.5164	2.6793	4.2265	4.5444	4.5444
H5	1.7748	2.9361	4.5616	1.0943		1.7624	2.1438	3.2291	3.4418	4.7473	5.3274	5.0283
H6	1.7748	2.9361	4.5616	1.0943	1.7624		2.1438	3.2291	3.4418	4.7473	5.0283	5.3274
C7	2.1341	1.7630	2.5431	1.4922	2.1438	2.1438		1.3304	2.0464	2.7358	3.2499	3.2499
C8	2.6554	2.7008	1.4907	2.5164	3.2291	3.2291	1.3304		1.0899	2.1556	2.1392	2.1392
H9	2.3543	3.6789	2.2022	2.6793	3.4418	3.4418	2.0464	1.0899		3.1056	2.5585	2.5585
H10	4.6851	2.7087	1.0900	4.2265	4.7473	4.7473	2.7358	2.1556	3.1056		1.7698	1.7698
H11	4.6394	3.9402	1.0957	4.5444	5.3274	5.0283	3.2499	2.1392	2.5585	1.7698		1.7575
H12	4.6394	3.9402	1.0957	4.5444	5.0283	5.3274	3.2499	2.1392	2.5585	1.7698	1.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.516	H1	C4	H6	108.516
H1	C4	C7	110.363	Cl2	C7	C4	112.968
Cl2	C7	C8	121.001	C3	C8	C7	128.615
C3	C8	H9	116.299	C4	C7	C8	126.032
H5	C4	H6	107.281	H5	C4	C7	111.029
H6	C4	C7	111.029	C7	C8	H9	115.085
C8	C3	H10	112.360	C8	C3	H11	110.681
C8	C3	H12	110.681	H10	C3	H11	108.133
H10	C3	H12	108.133	H11	C3	H12	106.636

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

using model chemistry: B3PW91/6-311G*

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	0.234
2	Cl	-0.088
3	C	-0.685
4	C	-0.639
5	H	0.249
6	H	0.249
7	C	-0.116
8	C	-0.145
9	H	0.215
10	H	0.259
11	H	0.234
12	H	0.234

	x	y	z	Total
	1.464	1.141	0.000	1.856
CHELPG
AIM
ESP

<r²>	172.391
(<r²>)^1/2	13.130

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

using model chemistry: B3PW91/6-311G*

States and conformations

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