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	hartrees
Energy at 0K	-613.768761
Energy at 298.15K	-613.775980
Nuclear repulsion energy	203.049541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3120	6.68
2	A'	3181	3052	4.85
3	A'	3135	3007	23.12
4	A'	3059	2934	14.80
5	A'	3038	2915	16.70
6	A'	1708	1639	14.90
7	A'	1565	1502	8.74
8	A'	1525	1463	5.03
9	A'	1456	1397	12.63
10	A'	1394	1337	13.93
11	A'	1360	1305	3.36
12	A'	1294	1241	3.35
13	A'	1109	1064	0.14
14	A'	1072	1029	2.74
15	A'	889	853	8.70
16	A'	826	792	63.62
17	A'	527	506	2.85
18	A'	336	322	1.22
19	A'	190	183	0.41
20	A"	3133	3005	24.20
21	A"	3065	2940	8.27
22	A"	1561	1498	10.09
23	A"	1336	1282	0.02
24	A"	1140	1093	1.24
25	A"	989	949	58.70
26	A"	867	832	13.01
27	A"	754	723	1.57
28	A"	299	287	0.97
29	A"	203	195	0.71
30	A"	142	136	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	1.926	-1.671	0.000
H2	2.481	-2.615	0.000
H3	2.219	-1.103	0.891
H4	2.219	-1.103	-0.891
C5	0.414	-1.945	0.000
H6	0.151	-2.551	-0.880
H7	0.151	-2.551	0.880
C8	0.000	0.534	0.000
Cl9	-1.060	1.927	0.000
H10	1.048	0.802	0.000
C11	-0.459	-0.712	0.000
H12	-1.534	-0.882	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0956	1.0964	1.0964	1.5367	2.1677	2.1677	2.9275	4.6756	2.6244	2.5699	3.5485
H2	1.0956		1.7746	1.7746	2.1731	2.4912	2.4912	4.0093	5.7597	3.7061	3.5019	4.3731
H3	1.0964	1.7746		1.7815	2.1823	3.0840	2.5247	2.8980	4.5529	2.4075	2.8492	3.8637
H4	1.0964	1.7746	1.7815		2.1823	2.5247	3.0840	2.8980	4.5529	2.4075	2.8492	3.8637
C5	1.5367	2.1731	2.1823	2.1823		1.1006	1.1006	2.5135	4.1433	2.8197	1.5104	2.2190
H6	2.1677	2.4912	3.0840	2.5247	1.1006		1.7607	3.2120	4.7222	3.5814	2.1282	2.5302
H7	2.1677	2.4912	2.5247	3.0840	1.1006	1.7607		3.2120	4.7222	3.5814	2.1282	2.5302
C8	2.9275	4.0093	2.8980	2.8980	2.5135	3.2120	3.2120		1.7506	1.0818	1.3280	2.0875
Cl9	4.6756	5.7597	4.5529	4.5529	4.1433	4.7222	4.7222	1.7506		2.3893	2.7071	2.8487
H10	2.6244	3.7061	2.4075	2.4075	2.8197	3.5814	3.5814	1.0818	2.3893		2.1364	3.0826
C11	2.5699	3.5019	2.8492	2.8492	1.5104	2.1282	2.1282	1.3280	2.7071	2.1364		1.0885
H12	3.5485	4.3731	3.8637	3.8637	2.2190	2.5302	2.5302	2.0875	2.8487	3.0826	1.0885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.449	C1	C5	H7	109.449
C1	C5	C11	115.004	H2	C1	H3	108.112
H2	C1	H4	108.112	H2	C1	C5	110.162
H3	C1	H4	108.673	H3	C1	C5	110.846
H4	C1	C5	110.846	C5	C11	C8	124.508
C5	C11	H12	116.323	H6	C5	H7	106.235
H6	C5	C11	108.168	H7	C5	C11	108.168
C8	C11	H12	119.169	Cl9	C8	H10	112.904
Cl9	C8	C11	122.528	H10	C8	C11	124.569

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	0.220
3	H	0.219
4	H	0.219
5	C	-0.480
6	H	0.237
7	H	0.237
8	C	-0.361
9	Cl	0.002
10	H	0.259
11	C	-0.160
12	H	0.237

	x	y	z	Total
	1.065	-2.026	0.000	2.288
CHELPG
AIM
ESP

<r²>	221.211
(<r²>)^1/2	14.873

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)