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	hartrees
Energy at 0K	-615.102160
Energy at 298.15K	-615.109630
Nuclear repulsion energy	204.136814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3388	3085	9.86
2	A'	3307	3010	6.84
3	A'	3223	2934	47.92
4	A'	3161	2878	21.52
5	A'	3147	2865	36.37
6	A'	1837	1672	12.60
7	A'	1625	1479	3.00
8	A'	1599	1456	1.76
9	A'	1543	1404	6.84
10	A'	1499	1365	20.23
11	A'	1436	1307	3.25
12	A'	1369	1247	10.29
13	A'	1180	1074	0.16
14	A'	1111	1012	5.60
15	A'	933	850	5.57
16	A'	889	809	63.94
17	A'	557	507	5.90
18	A'	347	316	0.79
19	A'	194	177	0.56
20	A"	3221	2932	47.09
21	A"	3164	2880	14.14
22	A"	1617	1472	6.63
23	A"	1402	1276	0.57
24	A"	1212	1104	3.42
25	A"	1078	982	42.88
26	A"	929	845	6.18
27	A"	799	728	0.31
28	A"	317	288	0.55
29	A"	214	195	0.43
30	A"	154	140	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.924	-1.704	0.000
H2	2.439	-2.657	0.000
H3	2.245	-1.156	0.878
H4	2.245	-1.156	-0.878
C5	0.417	-1.925	0.000
H6	0.138	-2.521	-0.865
H7	0.138	-2.521	0.865
C8	0.000	0.546	0.000
Cl9	-1.067	1.921	0.000
H10	1.030	0.829	0.000
C11	-0.439	-0.688	0.000
H12	-1.502	-0.853	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0829	1.0837	1.0837	1.5230	2.1458	2.1458	2.9607	4.7002	2.6863	2.5724	3.5297
H2	1.0829		1.7497	1.7497	2.1503	2.4622	2.4622	4.0259	5.7666	3.7597	3.4872	4.3338
H3	1.0837	1.7497		1.7554	2.1689	3.0562	2.5107	2.9508	4.6054	2.4870	2.8626	3.8601
H4	1.0837	1.7497	1.7554		2.1689	2.5107	3.0562	2.9508	4.6054	2.4870	2.8626	3.8601
C5	1.5230	2.1503	2.1689	2.1689		1.0866	1.0866	2.5061	4.1228	2.8213	1.5045	2.1978
H6	2.1458	2.4622	3.0562	2.5107	1.0866		1.7299	3.1892	4.6830	3.5725	2.1070	2.4931
H7	2.1458	2.4622	2.5107	3.0562	1.0866	1.7299		3.1892	4.6830	3.5725	2.1070	2.4931
C8	2.9607	4.0259	2.9508	2.9508	2.5061	3.1892	3.1892		1.7407	1.0681	1.3098	2.0528
Cl9	4.7002	5.7666	4.6054	4.6054	4.1228	4.6830	4.6830	1.7407		2.3647	2.6838	2.8086
H10	2.6863	3.7597	2.4870	2.4870	2.8213	3.5725	3.5725	1.0681	2.3647		2.1117	3.0397
C11	2.5724	3.4872	2.8626	2.8626	1.5045	2.1070	2.1070	1.3098	2.6838	2.1117		1.0754
H12	3.5297	4.3338	3.8601	3.8601	2.1978	2.4931	2.4931	2.0528	2.8086	3.0397	1.0754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.494	C1	C5	H7	109.494
C1	C5	C11	116.353	H2	C1	H3	107.717
H2	C1	H4	107.717	H2	C1	C5	110.068
H3	C1	H4	108.168	H3	C1	C5	111.507
H4	C1	C5	111.507	C5	C11	C8	125.725
C5	C11	H12	115.836	H6	C5	H7	105.501
H6	C5	C11	107.721	H7	C5	C11	107.721
C8	C11	H12	118.439	Cl9	C8	H10	112.459
Cl9	C8	C11	122.601	H10	C8	C11	124.940

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

using model chemistry: HF/aug-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	-0.884
2	H	0.234
3	H	0.295
4	H	0.295
5	C	-0.235
6	H	0.279
7	H	0.279
8	C	-0.332
9	Cl	-0.368
10	H	0.429
11	C	-0.404
12	H	0.413

	x	y	z	Total
	1.115	-2.138	0.000	2.411
CHELPG
AIM
ESP

	x	y	z
x	8.867	-1.172	0.000
y	-1.172	11.930	0.000
z	0.000	0.000	7.048

<r²>	221.483
(<r²>)^1/2	14.882

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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