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	hartrees
Energy at 0K	-616.458869
Energy at 298.15K
HF Energy	-616.236033
Nuclear repulsion energy	203.120496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3111	8.59
2	A'	3206	3042	7.49
3	A'	3163	3001	29.60
4	A'	3085	2927	18.07
5	A'	3057	2901	27.04
6	A'	1718	1630	15.72
7	A'	1560	1480	4.48
8	A'	1529	1450	1.44
9	A'	1462	1387	6.82
10	A'	1411	1339	21.42
11	A'	1352	1283	1.76
12	A'	1297	1231	5.40
13	A'	1126	1068	0.84
14	A'	1065	1011	5.76
15	A'	908	861	6.26
16	A'	850	806	60.43
17	A'	527	500	2.91
18	A'	331	314	1.00
19	A'	188	178	0.45
20	A"	3159	2997	30.99
21	A"	3084	2926	16.45
22	A"	1551	1471	6.52
23	A"	1322	1254	0.10
24	A"	1134	1075	1.29
25	A"	988	937	37.62
26	A"	841	798	7.33
27	A"	737	699	0.12
28	A"	305	290	0.61
29	A"	201	191	0.31
30	A"	143	136	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	1.915	-1.695	0.000
H2	2.457	-2.644	0.000
H3	2.225	-1.133	0.885
H4	2.225	-1.133	-0.885
C5	0.408	-1.944	0.000
H6	0.136	-2.550	-0.873
H7	0.136	-2.550	0.873
C8	0.000	0.541	0.000
Cl9	-1.053	1.936	0.000
H10	1.047	0.816	0.000
C11	-0.456	-0.710	0.000
H12	-1.531	-0.879	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0929	1.0937	1.0937	1.5277	2.1590	2.1590	2.9442	4.6899	2.6565	2.5680	3.5416
H2	1.0929		1.7671	1.7671	2.1649	2.4815	2.4815	4.0227	5.7704	3.7362	3.4966	4.3608
H3	1.0937	1.7671		1.7708	2.1782	3.0772	2.5251	2.9220	4.5769	2.4432	2.8556	3.8677
H4	1.0937	1.7671	1.7708		2.1782	2.5251	3.0772	2.9220	4.5769	2.4432	2.8556	3.8677
C5	1.5277	2.1649	2.1782	2.1782		1.0974	1.0974	2.5183	4.1460	2.8324	1.5063	2.2121
H6	2.1590	2.4815	3.0772	2.5251	1.0974		1.7465	3.2152	4.7226	3.5946	2.1208	2.5163
H7	2.1590	2.4815	2.5251	3.0772	1.0974	1.7465		3.2152	4.7226	3.5946	2.1208	2.5163
C8	2.9442	4.0227	2.9220	2.9220	2.5183	3.2152	3.2152		1.7477	1.0821	1.3322	2.0886
Cl9	4.6899	5.7704	4.5769	4.5769	4.1460	4.7226	4.7226	1.7477		2.3798	2.7130	2.8561
H10	2.6565	3.7362	2.4432	2.4432	2.8324	3.5946	3.5946	1.0821	2.3798		2.1420	3.0852
C11	2.5680	3.4966	2.8556	2.8556	1.5063	2.1208	2.1208	1.3322	2.7130	2.1420		1.0879
H12	3.5416	4.3608	3.8677	3.8677	2.2121	2.5163	2.5163	2.0886	2.8561	3.0852	1.0879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.571	C1	C5	H7	109.571
C1	C5	C11	115.644	H2	C1	H3	107.833
H2	C1	H4	107.833	H2	C1	C5	110.300
H3	C1	H4	108.110	H3	C1	C5	111.312
H4	C1	C5	111.312	C5	C11	C8	124.938
C5	C11	H12	116.085	H6	C5	H7	105.449
H6	C5	C11	108.054	H7	C5	C11	108.054
C8	C11	H12	118.978	Cl9	C8	H10	112.345
Cl9	C8	C11	122.925	H10	C8	C11	124.730

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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