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	hartrees
Energy at 0K	-616.794825
Energy at 298.15K	-616.802077
Nuclear repulsion energy	203.803900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3116	8.70
2	A'	3189	3065	6.31
3	A'	3148	3026	25.21
4	A'	3056	2938	17.62
5	A'	3039	2921	26.94
6	A'	1724	1657	13.91
7	A'	1478	1421	4.63
8	A'	1442	1386	3.51
9	A'	1397	1343	9.38
10	A'	1360	1307	12.27
11	A'	1302	1252	0.38
12	A'	1234	1186	5.81
13	A'	1117	1074	3.30
14	A'	1039	998	10.09
15	A'	911	876	9.04
16	A'	848	815	61.06
17	A'	523	502	2.39
18	A'	328	315	0.87
19	A'	195	188	0.35
20	A"	3138	3016	25.18
21	A"	3068	2949	11.93
22	A"	1466	1409	7.17
23	A"	1275	1225	0.10
24	A"	1088	1046	1.70
25	A"	968	930	35.66
26	A"	827	795	7.35
27	A"	726	698	0.76
28	A"	311	299	0.65
29	A"	211	203	0.80
30	A"	164	157	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.897	-1.684	0.000
H2	2.452	-2.631	0.000
H3	2.206	-1.114	0.888
H4	2.206	-1.114	-0.888
C5	0.399	-1.936	0.000
H6	0.122	-2.550	-0.874
H7	0.122	-2.550	0.874
C8	0.000	0.535	0.000
Cl9	-1.036	1.930	0.000
H10	1.058	0.793	0.000
C11	-0.464	-0.712	0.000
H12	-1.546	-0.866	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0978	1.0998	1.0998	1.5183	2.1594	2.1594	2.9192	4.6543	2.6156	2.5530	3.5383
H2	1.0978		1.7750	1.7750	2.1676	2.4901	2.4901	4.0046	5.7420	3.6973	3.4910	4.3703
H3	1.0998	1.7750		1.7758	2.1747	3.0841	2.5313	2.8940	4.5350	2.3968	2.8426	3.8638
H4	1.0998	1.7750	1.7758		2.1747	2.5313	3.0841	2.8940	4.5350	2.3968	2.8426	3.8638
C5	1.5183	2.1676	2.1747	2.1747		1.1037	1.1037	2.5027	4.1234	2.8072	1.4976	2.2196
H6	2.1594	2.4901	3.0841	2.5313	1.1037		1.7478	3.2087	4.7090	3.5801	2.1180	2.5259
H7	2.1594	2.4901	2.5313	3.0841	1.1037	1.7478		3.2087	4.7090	3.5801	2.1180	2.5259
C8	2.9192	4.0046	2.8940	2.8940	2.5027	3.2087	3.2087		1.7376	1.0887	1.3303	2.0866
Cl9	4.6543	5.7420	4.5350	4.5350	4.1234	4.7090	4.7090	1.7376		2.3824	2.7030	2.8425
H10	2.6156	3.6973	2.3968	2.3968	2.8072	3.5801	3.5801	1.0887	2.3824		2.1402	3.0875
C11	2.5530	3.4910	2.8426	2.8426	1.4976	2.1180	2.1180	1.3303	2.7030	2.1402		1.0930
H12	3.5383	4.3703	3.8638	3.8638	2.2196	2.5259	2.5259	2.0866	2.8425	3.0875	1.0930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.875	C1	C5	H7	109.875
C1	C5	C11	115.662	H2	C1	H3	107.739
H2	C1	H4	107.739	H2	C1	C5	110.877
H3	C1	H4	107.668	H3	C1	C5	111.323
H4	C1	C5	111.323	C5	C11	C8	124.396
C5	C11	H12	117.062	H6	C5	H7	104.710
H6	C5	C11	108.067	H7	C5	C11	108.067
C8	C11	H12	118.542	Cl9	C8	H10	112.880
Cl9	C8	C11	122.988	H10	C8	C11	124.132

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

using model chemistry: B1B95/cc-pVDZ

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	-0.065
2	H	0.035
3	H	0.043
4	H	0.043
5	C	-0.043
6	H	0.046
7	H	0.046
8	C	-0.110
9	Cl	-0.079
10	H	0.052
11	C	0.019
12	H	0.012

	x	y	z	Total
	0.966	-1.855	0.000	2.092
CHELPG
AIM
ESP

	x	y	z
x	7.930	-1.331	0.000
y	-1.331	11.165	0.000
z	0.000	0.000	5.172

<r²>	219.574
(<r²>)^1/2	14.818

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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