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	hartrees
Energy at 0K	-613.652002
Energy at 298.15K	-613.659134
Nuclear repulsion energy	200.894220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3160	4.97
2	A'	3188	3064	2.54
3	A'	3135	3014	22.37
4	A'	3059	2940	14.70
5	A'	3041	2923	14.82
6	A'	1719	1652	18.14
7	A'	1564	1503	8.95
8	A'	1523	1464	5.10
9	A'	1455	1398	12.87
10	A'	1390	1336	12.73
11	A'	1349	1297	8.63
12	A'	1267	1218	7.10
13	A'	1102	1059	0.29
14	A'	1069	1027	2.17
15	A'	886	852	5.93
16	A'	780	750	71.23
17	A'	510	490	5.45
18	A'	319	306	2.22
19	A'	181	174	0.62
20	A"	3133	3011	23.65
21	A"	3069	2950	6.96
22	A"	1559	1498	10.32
23	A"	1334	1283	0.02
24	A"	1138	1094	1.34
25	A"	984	946	62.98
26	A"	860	827	19.60
27	A"	748	719	0.72
28	A"	291	280	0.88
29	A"	194	186	0.44
30	A"	139	133	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	2.057	-1.553	0.000
H2	2.673	-2.459	0.000
H3	2.313	-0.967	0.891
H4	2.313	-0.967	-0.891
C5	0.567	-1.923	0.000
H6	0.340	-2.543	-0.881
H7	0.340	-2.543	0.881
C8	0.000	0.520	0.000
Cl9	-1.235	1.869	0.000
H10	1.009	0.903	0.000
C11	-0.381	-0.746	0.000
H12	-1.444	-0.980	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0956	1.0964	1.0964	1.5361	2.1690	2.1690	2.9200	4.7487	2.6704	2.5684	3.5477
H2	1.0956		1.7745	1.7745	2.1733	2.4947	2.4947	4.0019	5.8315	3.7515	3.5015	4.3743
H3	1.0964	1.7745		1.7816	2.1815	3.0845	2.5252	2.8903	4.6291	2.4480	2.8464	3.8612
H4	1.0964	1.7745	1.7816		2.1815	2.5252	3.0845	2.8903	4.6291	2.4480	2.8464	3.8612
C5	1.5361	2.1733	2.1815	2.1815		1.1003	1.1003	2.5079	4.1989	2.8612	1.5113	2.2208
H6	2.1690	2.4947	3.0845	2.5252	1.1003		1.7612	3.2049	4.7672	3.6195	2.1270	2.5302
H7	2.1690	2.4947	2.5252	3.0845	1.1003	1.7612		3.2049	4.7672	3.6195	2.1270	2.5302
C8	2.9200	4.0019	2.8903	2.8903	2.5079	3.2049	3.2049		1.8296	1.0793	1.3222	2.0818
Cl9	4.7487	5.8315	4.6291	4.6291	4.1989	4.7672	4.7672	1.8296		2.4431	2.7515	2.8569
H10	2.6704	3.7515	2.4480	2.4480	2.8612	3.6195	3.6195	1.0793	2.4431		2.1574	3.0924
C11	2.5684	3.5015	2.8464	2.8464	1.5113	2.1270	2.1270	1.3222	2.7515	2.1574		1.0880
H12	3.5477	4.3743	3.8612	3.8612	2.2208	2.5302	2.5302	2.0818	2.8569	3.0924	1.0880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.607	C1	C5	H7	109.607
C1	C5	C11	114.877	H2	C1	H3	108.108
H2	C1	H4	108.108	H2	C1	C5	110.216
H3	C1	H4	108.683	H3	C1	C5	110.818
H4	C1	C5	110.818	C5	C11	C8	124.390
C5	C11	H12	116.444	H6	C5	H7	106.322
H6	C5	C11	108.035	H7	C5	C11	108.035
C8	C11	H12	119.167	Cl9	C8	H10	111.642
Cl9	C8	C11	120.766	H10	C8	C11	127.592

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

using model chemistry: B3PW91/3-21G

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	-0.629
2	H	0.222
3	H	0.220
4	H	0.220
5	C	-0.482
6	H	0.240
7	H	0.240
8	C	-0.445
9	Cl	0.034
10	H	0.270
11	C	-0.135
12	H	0.245

	x	y	z	Total
	1.517	-2.370	0.000	2.814
CHELPG
AIM
ESP

<r²>	226.255
(<r²>)^1/2	15.042

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

using model chemistry: B3PW91/3-21G

States and conformations

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