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	hartrees
Energy at 0K	-615.040873
Energy at 298.15K	-615.048328
Nuclear repulsion energy	203.297301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3410	3097	10.42
2	A'	3332	3025	6.74
3	A'	3256	2956	41.81
4	A'	3181	2889	19.04
5	A'	3169	2877	43.79
6	A'	1858	1687	13.19
7	A'	1606	1458	2.65
8	A'	1581	1435	1.65
9	A'	1533	1392	9.39
10	A'	1487	1350	17.95
11	A'	1421	1290	2.69
12	A'	1353	1229	10.56
13	A'	1182	1073	0.57
14	A'	1113	1011	6.21
15	A'	941	855	6.39
16	A'	887	805	67.34
17	A'	557	506	6.19
18	A'	347	315	1.01
19	A'	195	177	0.58
20	A"	3256	2956	46.53
21	A"	3197	2903	18.59
22	A"	1597	1450	6.24
23	A"	1393	1265	0.37
24	A"	1202	1091	3.22
25	A"	1072	974	42.45
26	A"	916	832	7.21
27	A"	793	720	0.45
28	A"	322	293	0.40
29	A"	215	195	0.32
30	A"	152	138	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	1.938	-1.702	0.000
H2	2.460	-2.660	0.000
H3	2.260	-1.148	0.885
H4	2.260	-1.148	-0.885
C5	0.430	-1.928	0.000
H6	0.150	-2.529	-0.871
H7	0.150	-2.529	0.871
C8	0.000	0.550	0.000
Cl9	-1.083	1.922	0.000
H10	1.037	0.845	0.000
C11	-0.434	-0.694	0.000
H12	-1.505	-0.865	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0914	1.0923	1.0923	1.5243	2.1538	2.1538	2.9709	4.7175	2.7015	2.5773	3.5428
H2	1.0914		1.7631	1.7631	2.1581	2.4724	2.4724	4.0445	5.7920	3.7831	3.4993	4.3526
H3	1.0923	1.7631		1.7693	2.1768	3.0727	2.5219	2.9620	4.6240	2.5002	2.8718	3.8777
H4	1.0923	1.7631	1.7693		2.1768	2.5219	3.0727	2.9620	4.6240	2.5002	2.8718	3.8777
C5	1.5243	2.1581	2.1768	2.1768		1.0949	1.0949	2.5152	4.1364	2.8386	1.5069	2.2078
H6	2.1538	2.4724	3.0727	2.5219	1.0949		1.7418	3.2040	4.7002	3.5962	2.1143	2.5036
H7	2.1538	2.4724	2.5219	3.0727	1.0949	1.7418		3.2040	4.7002	3.5962	2.1143	2.5036
C8	2.9709	4.0445	2.9620	2.9620	2.5152	3.2040	3.2040		1.7476	1.0779	1.3176	2.0660
Cl9	4.7175	5.7920	4.6240	4.6240	4.1364	4.7002	4.7002	1.7476		2.3776	2.6946	2.8185
H10	2.7015	3.7831	2.5002	2.5002	2.8386	3.5962	3.5962	1.0779	2.3776		2.1289	3.0636
C11	2.5773	3.4993	2.8718	2.8718	1.5069	2.1143	2.1143	1.3176	2.6946	2.1289		1.0843
H12	3.5428	4.3526	3.8777	3.8777	2.2078	2.5036	2.5036	2.0660	2.8185	3.0636	1.0843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.546	C1	C5	H7	109.546
C1	C5	C11	116.478	H2	C1	H3	107.684
H2	C1	H4	107.684	H2	C1	C5	110.082
H3	C1	H4	108.179	H3	C1	C5	111.526
H4	C1	C5	111.526	C5	C11	C8	125.744
C5	C11	H12	115.914	H6	C5	H7	105.384
H6	C5	C11	107.651	H7	C5	C11	107.651
C8	C11	H12	118.342	Cl9	C8	H10	112.428
Cl9	C8	C11	122.451	H10	C8	C11	125.122

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

using model chemistry: HF/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	CHELPG
1	C	-0.061	-0.120
2	H	0.039	0.033
3	H	0.041	0.025
4	H	0.041	0.025
5	C	-0.039	0.171
6	H	0.047	-0.009
7	H	0.047	-0.009
8	C	-0.106	-0.166
9	Cl	-0.119	-0.137
10	H	0.074	0.188
11	C	-0.006	-0.119
12	H	0.043	0.119

	x	y	z	Total
	1.145	-2.103	0.000	2.394
CHELPG
AIM
ESP

	x	y	z
x	7.527	-1.137	0.000
y	-1.137	10.678	0.000
z	0.000	0.000	5.039

<r²>	222.903
(<r²>)^1/2	14.930

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

using model chemistry: HF/cc-pVDZ

States and conformations

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