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	hartrees
Energy at 0K	-615.102388
Energy at 298.15K	-615.109835
HF Energy	-615.102388
Nuclear repulsion energy	204.115635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3387	3063	9.89
2	A'	3305	2990	6.81
3	A'	3223	2915	47.81
4	A'	3162	2860	21.50
5	A'	3147	2847	36.43
6	A'	1836	1661	12.53
7	A'	1624	1469	2.97
8	A'	1599	1447	1.76
9	A'	1542	1395	6.94
10	A'	1500	1357	20.15
11	A'	1436	1299	3.22
12	A'	1370	1239	10.37
13	A'	1180	1067	0.17
14	A'	1111	1005	5.60
15	A'	933	844	5.44
16	A'	888	803	64.20
17	A'	557	504	5.96
18	A'	347	314	0.79
19	A'	194	176	0.56
20	A"	3221	2914	46.99
21	A"	3164	2862	14.20
22	A"	1617	1463	6.63
23	A"	1402	1268	0.58
24	A"	1212	1097	3.42
25	A"	1079	976	42.82
26	A"	929	841	6.21
27	A"	800	723	0.31
28	A"	317	286	0.56
29	A"	214	194	0.42
30	A"	155	140	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.925	-1.704	0.000
H2	2.439	-2.657	0.000
H3	2.246	-1.156	0.878
H4	2.246	-1.156	-0.878
C5	0.418	-1.925	0.000
H6	0.139	-2.520	-0.865
H7	0.139	-2.520	0.865
C8	0.000	0.546	0.000
Cl9	-1.068	1.921	0.000
H10	1.030	0.830	0.000
C11	-0.439	-0.688	0.000
H12	-1.502	-0.854	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0829	1.0836	1.0836	1.5230	2.1455	2.1455	2.9613	4.7013	2.6874	2.5727	3.5302
H2	1.0829		1.7497	1.7497	2.1499	2.4612	2.4612	4.0263	5.7674	3.7610	3.4871	4.3336
H3	1.0836	1.7497		1.7554	2.1689	3.0559	2.5104	2.9518	4.6070	2.4885	2.8633	3.8609
H4	1.0836	1.7497	1.7554		2.1689	2.5104	3.0559	2.9518	4.6070	2.4885	2.8633	3.8609
C5	1.5230	2.1499	2.1689	2.1689		1.0865	1.0865	2.5059	4.1230	2.8217	1.5043	2.1978
H6	2.1455	2.4612	3.0559	2.5104	1.0865		1.7296	3.1891	4.6831	3.5728	2.1068	2.4930
H7	2.1455	2.4612	2.5104	3.0559	1.0865	1.7296		3.1891	4.6831	3.5728	2.1068	2.4930
C8	2.9613	4.0263	2.9518	2.9518	2.5059	3.1891	3.1891		1.7412	1.0683	1.3100	2.0531
Cl9	4.7013	5.7674	4.6070	4.6070	4.1230	4.6831	4.6831	1.7412		2.3651	2.6842	2.8088
H10	2.6874	3.7610	2.4885	2.4885	2.8217	3.5728	3.5728	1.0683	2.3651		2.1122	3.0403
C11	2.5727	3.4871	2.8633	2.8633	1.5043	2.1068	2.1068	1.3100	2.6842	2.1122		1.0756
H12	3.5302	4.3336	3.8609	3.8609	2.1978	2.4930	2.4930	2.0531	2.8088	3.0403	1.0756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.474	C1	C5	H7	109.474
C1	C5	C11	116.392	H2	C1	H3	107.724
H2	C1	H4	107.724	H2	C1	C5	110.033
H3	C1	H4	108.182	H3	C1	C5	111.512
H4	C1	C5	111.512	C5	C11	C8	125.717
C5	C11	H12	115.841	H6	C5	H7	105.492
H6	C5	C11	107.724	H7	C5	C11	107.724
C8	C11	H12	118.442	Cl9	C8	H10	112.452
Cl9	C8	C11	122.585	H10	C8	C11	124.963

All results from a given calculation for CHClCHCH₂CH₃ ((Z)-1-Chloro-1-butene)

using model chemistry: HF/daug-cc-pVTZ

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	C	-0.988
2	H	0.401
3	H	0.313
4	H	0.313
5	C	-0.440
6	H	0.246
7	H	0.246
8	C	-1.176
9	Cl	-0.604
10	H	0.815
11	C	0.227
12	H	0.648

	x	y	z	Total
	1.117	-2.138	0.000	2.412
CHELPG
AIM
ESP

	x	y	z
x	8.891	-1.168	0.000
y	-1.168	11.946	0.000
z	0.000	0.000	7.069

<r²>	221.538
(<r²>)^1/2	14.884

All results from a given calculation for CHClCHCH2CH3 ((Z)-1-Chloro-1-butene)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHClCHCH₂CH₃ ((Z)-1-Chloro-1-butene)