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	hartrees
Energy at 0K	-616.451083
Energy at 298.15K	-616.458138
Nuclear repulsion energy	202.335770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3114	10.25
2	A'	3085	3053	9.90
3	A'	3048	3016	32.53
4	A'	2972	2942	23.23
5	A'	2942	2911	29.46
6	A'	1649	1632	17.22
7	A'	1478	1463	7.13
8	A'	1438	1423	4.19
9	A'	1380	1365	10.46
10	A'	1337	1323	18.05
11	A'	1288	1275	1.08
12	A'	1226	1213	5.35
13	A'	1084	1073	1.85
14	A'	1021	1010	7.46
15	A'	878	869	8.53
16	A'	809	800	70.71
17	A'	509	504	3.13
18	A'	319	316	0.83
19	A'	177	175	0.40
20	A"	3039	3008	34.59
21	A"	2960	2929	15.14
22	A"	1473	1458	10.15
23	A"	1262	1249	0.08
24	A"	1071	1060	1.38
25	A"	928	919	48.43
26	A"	797	789	9.76
27	A"	699	691	0.03
28	A"	295	292	0.98
29	A"	196	194	0.92
30	A"	148	147	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.917	-1.711	0.000
H2	2.456	-2.670	0.000
H3	2.242	-1.150	0.890
H4	2.242	-1.150	-0.890
C5	0.406	-1.943	0.000
H6	0.124	-2.560	-0.875
H7	0.124	-2.560	0.875
C8	0.000	0.543	0.000
Cl9	-1.052	1.946	0.000
H10	1.054	0.822	0.000
C11	-0.458	-0.711	0.000
H12	-1.542	-0.874	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1001	1.1015	1.1015	1.5288	2.1677	2.1677	2.9595	4.7108	2.6769	2.5775	3.5593
H2	1.1001		1.7749	1.7749	2.1753	2.4930	2.4930	4.0447	5.7980	3.7638	3.5119	4.3835
H3	1.1015	1.7749		1.7804	2.1893	3.0965	2.5440	2.9471	4.6073	2.4686	2.8770	3.8973
H4	1.1015	1.7749	1.7804		2.1893	2.5440	3.0965	2.9471	4.6073	2.4686	2.8770	3.8973
C5	1.5288	2.1753	2.1893	2.1893		1.1068	1.1068	2.5194	4.1534	2.8404	1.5053	2.2225
H6	2.1677	2.4930	3.0965	2.5440	1.1068		1.7502	3.2263	4.7381	3.6149	2.1268	2.5270
H7	2.1677	2.4930	2.5440	3.0965	1.1068	1.7502		3.2263	4.7381	3.6149	2.1268	2.5270
C8	2.9595	4.0447	2.9471	2.9471	2.5194	3.2263	3.2263		1.7534	1.0900	1.3353	2.0944
Cl9	4.7108	5.7980	4.6073	4.6073	4.1534	4.7381	4.7381	1.7534		2.3868	2.7222	2.8617
H10	2.6769	3.7638	2.4686	2.4686	2.8404	3.6149	3.6149	1.0900	2.3868		2.1534	3.1009
C11	2.5775	3.5119	2.8770	2.8770	1.5053	2.1268	2.1268	1.3353	2.7222	2.1534		1.0960
H12	3.5593	4.3835	3.8973	3.8973	2.2225	2.5270	2.5270	2.0944	2.8617	3.1009	1.0960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.628	C1	C5	H7	109.628
C1	C5	C11	116.323	H2	C1	H3	107.452
H2	C1	H4	107.452	H2	C1	C5	110.618
H3	C1	H4	107.825	H3	C1	C5	111.646
H4	C1	C5	111.646	C5	C11	C8	124.878
C5	C11	H12	116.501	H6	C5	H7	104.489
H6	C5	C11	108.052	H7	C5	C11	108.052
C8	C11	H12	118.621	Cl9	C8	H10	112.041
Cl9	C8	C11	123.043	H10	C8	C11	124.915

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

using model chemistry: PBEPBE/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	-0.678
2	H	0.225
3	H	0.226
4	H	0.226
5	C	-0.438
6	H	0.229
7	H	0.229
8	C	-0.319
9	Cl	-0.051
10	H	0.256
11	C	-0.118
12	H	0.214

	x	y	z	Total
	0.992	-1.993	0.000	2.226
CHELPG
AIM
ESP

	x	y	z
x	8.288	-1.608	0.000
y	-1.608	11.881	0.000
z	0.000	0.000	5.406

<r²>	223.884
(<r²>)^1/2	14.963

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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