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	hartrees
Energy at 0K	-615.070261
Energy at 298.15K	-615.077714
Nuclear repulsion energy	203.740869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3397	3086	11.97
2	A'	3311	3008	8.43
3	A'	3232	2936	49.49
4	A'	3167	2877	20.37
5	A'	3156	2867	39.69
6	A'	1846	1677	14.85
7	A'	1625	1476	3.34
8	A'	1600	1453	1.66
9	A'	1543	1402	8.52
10	A'	1497	1360	19.23
11	A'	1436	1304	3.03
12	A'	1372	1247	10.49
13	A'	1180	1072	0.11
14	A'	1112	1010	5.35
15	A'	936	850	5.40
16	A'	888	807	73.61
17	A'	556	505	6.67
18	A'	348	316	0.78
19	A'	195	177	0.62
20	A"	3230	2935	55.80
21	A"	3176	2886	17.66
22	A"	1618	1470	6.79
23	A"	1400	1272	0.58
24	A"	1210	1099	3.32
25	A"	1080	981	51.15
26	A"	925	840	8.23
27	A"	798	725	0.14
28	A"	318	289	0.51
29	A"	214	195	0.34
30	A"	147	134	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	1.929	-1.703	0.000
H2	2.448	-2.655	0.000
H3	2.248	-1.152	0.880
H4	2.248	-1.152	-0.880
C5	0.420	-1.929	0.000
H6	0.142	-2.525	-0.867
H7	0.142	-2.525	0.867
C8	0.000	0.545	0.000
Cl9	-1.071	1.924	0.000
H10	1.030	0.834	0.000
C11	-0.440	-0.692	0.000
H12	-1.504	-0.859	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0849	1.0858	1.0858	1.5257	2.1499	2.1499	2.9617	4.7067	2.6911	2.5757	3.5358
H2	1.0849		1.7532	1.7532	2.1541	2.4674	2.4674	4.0291	5.7754	3.7663	3.4925	4.3420
H3	1.0858	1.7532		1.7592	2.1723	3.0616	2.5145	2.9507	4.6101	2.4901	2.8656	3.8656
H4	1.0858	1.7532	1.7592		2.1723	2.5145	3.0616	2.9507	4.6101	2.4901	2.8656	3.8656
C5	1.5257	2.1541	2.1723	2.1723		1.0884	1.0884	2.5091	4.1315	2.8293	1.5071	2.2025
H6	2.1499	2.4674	3.0616	2.5145	1.0884		1.7340	3.1930	4.6921	3.5809	2.1100	2.4980
H7	2.1499	2.4674	2.5145	3.0616	1.0884	1.7340		3.1930	4.6921	3.5809	2.1100	2.4980
C8	2.9617	4.0291	2.9507	2.9507	2.5091	3.1930	3.1930		1.7464	1.0698	1.3121	2.0572
Cl9	4.7067	5.7754	4.6101	4.6101	4.1315	4.6921	4.6921	1.7464		2.3672	2.6905	2.8158
H10	2.6911	3.7663	2.4901	2.4901	2.8293	3.5809	3.5809	1.0698	2.3672		2.1183	3.0475
C11	2.5757	3.4925	2.8656	2.8656	1.5071	2.1100	2.1100	1.3121	2.6905	2.1183		1.0776
H12	3.5358	4.3420	3.8656	3.8656	2.2025	2.4980	2.4980	2.0572	2.8158	3.0475	1.0776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.527	C1	C5	H7	109.527
C1	C5	C11	116.272	H2	C1	H3	107.741
H2	C1	H4	107.741	H2	C1	C5	110.058
H3	C1	H4	108.214	H3	C1	C5	111.468
H4	C1	C5	111.468	C5	C11	C8	125.608
C5	C11	H12	115.892	H6	C5	H7	105.617
H6	C5	C11	107.679	H7	C5	C11	107.679
C8	C11	H12	118.501	Cl9	C8	H10	112.157
Cl9	C8	C11	122.573	H10	C8	C11	125.270

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

using model chemistry: HF/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	C	-0.271
2	H	0.101
3	H	0.099
4	H	0.099
5	C	-0.146
6	H	0.107
7	H	0.107
8	C	-0.182
9	Cl	-0.110
10	H	0.159
11	C	-0.089
12	H	0.127

	x	y	z	Total
	1.167	-2.258	0.000	2.541
CHELPG
AIM
ESP

	x	y	z
x	7.578	-1.210	0.000
y	-1.210	10.892	0.000
z	0.000	0.000	5.173

<r²>	222.334
(<r²>)^1/2	14.911

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

using model chemistry: HF/6-311G**

States and conformations

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