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	hartrees
Energy at 0K	-170.174076
Energy at 298.15K	-170.181446
Nuclear repulsion energy	148.433684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3479	3131	14.48
2	A'	3376	3038	11.01
3	A'	3287	2958	62.24
4	A'	3206	2885	22.28
5	A'	3198	2878	60.61
6	A'	1840	1656	16.42
7	A'	1657	1491	7.47
8	A'	1639	1475	5.42
9	A'	1572	1415	9.53
10	A'	1521	1368	13.66
11	A'	1449	1304	8.62
12	A'	1375	1238	10.19
13	A'	1199	1079	0.32
14	A'	1145	1031	1.57
15	A'	942	848	5.12
16	A'	835	751	75.08
17	A'	543	488	11.08
18	A'	339	305	2.67
19	A'	192	173	0.85
20	A"	3287	2958	74.95
21	A"	3238	2914	18.87
22	A"	1652	1487	10.33
23	A"	1412	1271	0.29
24	A"	1238	1114	3.10
25	A"	1089	980	67.61
26	A"	940	846	17.75
27	A"	816	734	0.30
28	A"	305	275	0.93
29	A"	212	191	0.24
30	A"	138	124	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	-1.599	-1.290	0.000
H2	-2.652	-1.546	0.000
H3	-1.150	-1.740	0.879
H4	-1.150	-1.740	-0.879
C5	-1.427	0.235	0.000
H6	-1.928	0.655	-0.867
H7	-1.928	0.655	0.867
C8	1.086	-0.014	0.000
Cl9	2.744	0.707	0.000
H10	1.127	-1.080	0.000
C11	0.000	0.743	0.000
H12	0.112	1.812	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0837	1.0845	1.0845	1.5347	2.1553	2.1553	2.9726	4.7802	2.7339	2.5864	3.5429
H2	1.0837		1.7513	1.7513	2.1616	2.4744	2.4744	4.0396	5.8476	3.8076	3.5032	4.3495
H3	1.0845	1.7513		1.7576	2.1788	3.0643	2.5181	2.9574	4.6816	2.5278	2.8732	3.8702
H4	1.0845	1.7513	1.7576		2.1788	2.5181	3.0643	2.9574	4.6816	2.5278	2.8732	3.8702
C5	1.5347	2.1616	2.1788	2.1788		1.0863	1.0863	2.5250	4.1976	2.8722	1.5146	2.2038
H6	2.1553	2.4744	3.0643	2.5181	1.0863		1.7346	3.2067	4.7521	3.6185	2.1157	2.5005
H7	2.1553	2.4744	2.5181	3.0643	1.0863	1.7346		3.2067	4.7521	3.6185	2.1157	2.5005
C8	2.9726	4.0396	2.9574	2.9574	2.5250	3.2067	3.2067		1.8083	1.0663	1.3236	2.0696
Cl9	4.7802	5.8476	4.6816	4.6816	4.1976	4.7521	4.7521	1.8083		2.4098	2.7444	2.8546
H10	2.7339	3.8076	2.5278	2.5278	2.8722	3.6185	3.6185	1.0663	2.4098		2.1427	3.0646
C11	2.5864	3.5032	2.8732	2.8732	1.5146	2.1157	2.1157	1.3236	2.7444	2.1427		1.0752
H12	3.5429	4.3495	3.8702	3.8702	2.2038	2.5005	2.5005	2.0696	2.8546	3.0646	1.0752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.449	C1	C5	H7	109.449
C1	C5	C11	116.033	H2	C1	H3	107.746
H2	C1	H4	107.746	H2	C1	C5	110.094
H3	C1	H4	108.261	H3	C1	C5	111.423
H4	C1	C5	111.423	C5	C11	C8	125.523
C5	C11	H12	115.589	H6	C5	H7	105.957
H6	C5	C11	107.736	H7	C5	C11	107.736
C8	C11	H12	118.888	Cl9	C8	H10	111.291
Cl9	C8	C11	121.622	H10	C8	C11	127.088

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

using model chemistry: HF/LANL2DZ

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	-0.563
2	H	0.186
3	H	0.176
4	H	0.176
5	C	-0.300
6	H	0.181
7	H	0.181
8	C	-0.394
9	Cl	-0.122
10	H	0.240
11	C	0.024
12	H	0.215

	x	y	z	Total
	-3.181	-0.730	0.000	3.264
CHELPG
AIM
ESP

	x	y	z
x	10.442	0.160	0.000
y	0.160	6.337	0.000
z	0.000	0.000	4.309

<r²>	164.815
(<r²>)^1/2	12.838

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

using model chemistry: HF/LANL2DZ

States and conformations

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