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	hartrees
Energy at 0K
Energy at 298.15K	0.028173
HF Energy	0.028173
Nuclear repulsion energy	100.990162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2786	2960	100.07
2	A'	2778	2951	266.57
3	A'	2742	2913	130.26
4	A'	2724	2894	64.31
5	A'	2712	2881	30.09
6	A'	1796	1908	24.41
7	A'	1763	1873	16.62
8	A'	1359	1444	15.67
9	A'	1328	1411	24.85
10	A'	1283	1363	19.53
11	A'	1233	1310	79.21
12	A'	1018	1081	78.34
13	A'	924	982	1.66
14	A'	691	734	62.71
15	A'	518	550	0.15
16	A'	384	408	1.07
17	A'	256	272	0.23
18	A"	1054	1120	74.33
19	A"	1025	1089	103.44
20	A"	949	1008	25.78
21	A"	678	720	0.08
22	A"	578	614	0.30
23	A"	392	416	3.78
24	A"	35i	37i	0.15

Atom	x (Å)	y (Å)
C1	-0.360	1.880
C2	0.000	0.598
C3	1.373	0.091
C4	1.721	-1.196
Cl5	-1.251	-0.617
H6	0.349	2.697
H7	-1.390	2.215
H8	2.136	0.880
H9	2.754	-1.521
H10	1.021	-2.023

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3322	2.4908	3.7138	2.6517	1.0815	1.0825	2.6890	4.6112	4.1400
C2	1.3322		1.4634	2.4854	1.7440	2.1277	2.1320	2.1544	3.4742	2.8122
C3	2.4908	1.4634		1.3332	2.7181	2.7991	3.4843	1.0972	2.1225	2.1431
C4	3.7138	2.4854	1.3332		3.0275	4.1268	4.6157	2.1169	1.0829	1.0832
Cl5	2.6517	1.7440	2.7181	3.0275		3.6800	2.8351	3.7031	4.1054	2.6715
H6	1.0815	2.1277	2.7991	4.1268	3.6800		1.8047	2.5478	4.8545	4.7667
H7	1.0825	2.1320	3.4843	4.6157	2.8351	1.8047		3.7697	5.5785	4.8748
H8	2.6890	2.1544	1.0972	2.1169	3.7031	2.5478	3.7697		2.4790	3.1094
H9	4.6112	3.4742	2.1225	1.0829	4.1054	4.8545	5.5785	2.4790		1.8040
H10	4.1400	2.8122	2.1431	1.0832	2.6715	4.7667	4.8748	3.1094	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.930	C1	C2	Cl5	118.475
C2	C1	H6	123.315	C2	C1	H7	123.669
C2	C3	C4	125.358	C2	C3	H8	113.801
C3	C2	Cl5	115.595	C3	C4	H9	122.575
C3	C4	H10	124.643	C4	C3	H8	120.841
H6	C1	H7	113.017	H9	C4	H10	112.782

All results from a given calculation for CH₂CClCHCH₂ (1,3-Butadiene, 2-chloro-)

using model chemistry: PM6

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 CH2CClCHCH2 (1,3-Butadiene, 2-chloro-)

using model chemistry: PM6

States and conformations

All results from a given calculation for CH₂CClCHCH₂ (1,3-Butadiene, 2-chloro-)