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	hartrees
Energy at 0K	-616.798090
Energy at 298.15K	-616.805290
Nuclear repulsion energy	203.567658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3105	7.37
2	A'	3200	3045	6.99
3	A'	3155	3003	26.94
4	A'	3069	2921	21.61
5	A'	3048	2901	26.27
6	A'	1722	1639	15.88
7	A'	1517	1443	7.09
8	A'	1481	1409	4.34
9	A'	1427	1358	11.48
10	A'	1384	1317	14.10
11	A'	1330	1266	1.46
12	A'	1271	1209	5.89
13	A'	1120	1066	2.01
14	A'	1052	1001	7.63
15	A'	907	863	10.06
16	A'	852	811	65.48
17	A'	528	502	2.64
18	A'	331	315	0.78
19	A'	183	174	0.39
20	A"	3148	2996	27.65
21	A"	3077	2929	10.06
22	A"	1509	1437	10.01
23	A"	1295	1233	0.27
24	A"	1108	1054	2.42
25	A"	977	930	49.50
26	A"	841	800	8.19
27	A"	734	698	0.44
28	A"	300	286	0.99
29	A"	201	192	0.86
30	A"	150	142	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.904	-1.704	0.000
H2	2.436	-2.659	0.000
H3	2.224	-1.147	0.885
H4	2.224	-1.147	-0.885
C5	0.399	-1.936	0.000
H6	0.120	-2.542	-0.871
H7	0.120	-2.542	0.871
C8	0.000	0.543	0.000
Cl9	-1.041	1.935	0.000
H10	1.049	0.810	0.000
C11	-0.459	-0.705	0.000
H12	-1.535	-0.863	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0925	1.0938	1.0938	1.5226	2.1554	2.1554	2.9456	4.6817	2.6559	2.5658	3.5404
H2	1.0925		1.7643	1.7643	2.1613	2.4774	2.4774	4.0230	5.7612	3.7357	3.4926	4.3580
H3	1.0938	1.7643		1.7706	2.1761	3.0757	2.5248	2.9304	4.5765	2.4486	2.8597	3.8722
H4	1.0938	1.7643	1.7706		2.1761	2.5248	3.0757	2.9304	4.5765	2.4486	2.8597	3.8722
C5	1.5226	2.1613	2.1761	2.1761		1.0979	1.0979	2.5109	4.1300	2.8217	1.5006	2.2117
H6	2.1554	2.4774	3.0757	2.5248	1.0979		1.7426	3.2086	4.7069	3.5865	2.1146	2.5135
H7	2.1554	2.4774	2.5248	3.0757	1.0979	1.7426		3.2086	4.7069	3.5865	2.1146	2.5135
C8	2.9456	4.0230	2.9304	2.9304	2.5109	3.2086	3.2086		1.7382	1.0823	1.3297	2.0818
Cl9	4.6817	5.7612	4.5765	4.5765	4.1300	4.7069	4.7069	1.7382		2.3735	2.7031	2.8413
H10	2.6559	3.7357	2.4486	2.4486	2.8217	3.5865	3.5865	1.0823	2.3735		2.1374	3.0783
C11	2.5658	3.4926	2.8597	2.8597	1.5006	2.1146	2.1146	1.3297	2.7031	2.1374		1.0876
H12	3.5404	4.3580	3.8722	3.8722	2.2117	2.5135	2.5135	2.0818	2.8413	3.0783	1.0876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.606	C1	C5	H7	109.606
C1	C5	C11	116.136	H2	C1	H3	107.606
H2	C1	H4	107.606	H2	C1	C5	110.391
H3	C1	H4	108.070	H3	C1	C5	111.499
H4	C1	C5	111.499	C5	C11	C8	124.924
C5	C11	H12	116.507	H6	C5	H7	105.045
H6	C5	C11	107.930	H7	C5	C11	107.930
C8	C11	H12	118.569	Cl9	C8	H10	112.523
Cl9	C8	C11	123.004	H10	C8	C11	124.473

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.650
2	H	0.175
3	H	0.176
4	H	0.176
5	C	-0.404
6	H	0.180
7	H	0.180
8	C	-0.418
9	Cl	0.136
10	H	0.195
11	C	0.079
12	H	0.175

	x	y	z	Total
	1.040	-2.033	0.000	2.284
CHELPG
AIM
ESP

<r²>	221.257
(<r²>)^1/2	14.875

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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