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	hartrees
Energy at 0K	-616.816510
Energy at 298.15K	-616.823597
HF Energy	-616.816510
Nuclear repulsion energy	203.127489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3119	7.86
2	A'	3096	3055	8.97
3	A'	3049	3009	35.27
4	A'	2977	2938	24.68
5	A'	2943	2905	31.90
6	A'	1641	1619	14.00
7	A'	1482	1462	4.44
8	A'	1442	1423	3.20
9	A'	1387	1369	4.48
10	A'	1342	1324	21.24
11	A'	1300	1284	1.08
12	A'	1235	1219	6.31
13	A'	1078	1064	0.67
14	A'	1025	1012	7.96
15	A'	869	858	7.57
16	A'	808	797	63.79
17	A'	512	506	4.01
18	A'	325	321	0.81
19	A'	184	181	0.39
20	A"	3042	3002	33.18
21	A"	2960	2922	13.63
22	A"	1476	1457	7.29
23	A"	1263	1246	0.30
24	A"	1078	1064	1.94
25	A"	941	929	37.40
26	A"	812	801	5.88
27	A"	712	703	0.18
28	A"	293	289	0.74
29	A"	194	192	0.74
30	A"	138	137	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	1.910	-1.710	0.000
H2	2.441	-2.666	0.000
H3	2.229	-1.151	0.886
H4	2.229	-1.151	-0.886
C5	0.398	-1.940	0.000
H6	0.117	-2.548	-0.872
H7	0.117	-2.548	0.872
C8	0.000	0.545	0.000
Cl9	-1.043	1.939	0.000
H10	1.049	0.815	0.000
C11	-0.460	-0.704	0.000
H12	-1.537	-0.863	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0940	1.0951	1.0951	1.5293	2.1631	2.1631	2.9547	4.6944	2.6675	2.5742	3.5496
H2	1.0940		1.7682	1.7682	2.1687	2.4855	2.4855	4.0335	5.7752	3.7492	3.5022	4.3681
H3	1.0951	1.7682		1.7717	2.1818	3.0832	2.5329	2.9373	4.5871	2.4579	2.8661	3.8797
H4	1.0951	1.7682	1.7717		2.1818	2.5329	3.0832	2.9373	4.5871	2.4579	2.8661	3.8797
C5	1.5293	2.1687	2.1818	2.1818		1.1001	1.1001	2.5159	4.1381	2.8303	1.5038	2.2145
H6	2.1631	2.4855	3.0832	2.5329	1.1001		1.7442	3.2158	4.7167	3.5973	2.1198	2.5174
H7	2.1631	2.4855	2.5329	3.0832	1.1001	1.7442		3.2158	4.7167	3.5973	2.1198	2.5174
C8	2.9547	4.0335	2.9373	2.9373	2.5159	3.2158	3.2158		1.7417	1.0830	1.3310	2.0842
Cl9	4.6944	5.7752	4.5871	4.5871	4.1381	4.7167	4.7167	1.7417		2.3750	2.7074	2.8455
H10	2.6675	3.7492	2.4579	2.4579	2.8303	3.5973	3.5973	1.0830	2.3750		2.1411	3.0825
C11	2.5742	3.5022	2.8661	2.8661	1.5038	2.1198	2.1198	1.3310	2.7074	2.1411		1.0888
H12	3.5496	4.3681	3.8797	3.8797	2.2145	2.5174	2.5174	2.0842	2.8455	3.0825	1.0888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.539	C1	C5	H7	109.539
C1	C5	C11	116.364	H2	C1	H3	107.676
H2	C1	H4	107.676	H2	C1	C5	110.502
H3	C1	H4	108.010	H3	C1	C5	111.407
H4	C1	C5	111.407	C5	C11	C8	125.091
C5	C11	H12	116.483	H6	C5	H7	104.905
H6	C5	C11	107.936	H7	C5	C11	107.936
C8	C11	H12	118.426	Cl9	C8	H10	112.368
Cl9	C8	C11	122.899	H10	C8	C11	124.733

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.526
2	H	0.117
3	H	0.144
4	H	0.144
5	C	0.060
6	H	0.122
7	H	0.122
8	C	-0.354
9	Cl	-0.220
10	H	0.121
11	C	0.154
12	H	0.114

	x	y	z	Total
	0.977	-1.910	0.000	2.145
CHELPG
AIM
ESP

	x	y	z
x	9.672	-1.513	0.000
y	-1.513	13.017	0.000
z	0.000	0.000	7.448

<r²>	222.219
(<r²>)^1/2	14.907

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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