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	hartrees
Energy at 0K	-614.831610
Energy at 298.15K
HF Energy	-613.911847
Nuclear repulsion energy	197.281485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3265	3183
2	A'	3258	3176
3	A'	3174	3094
4	A'	3165	3085
5	A'	3160	3080
6	A'	1686	1644
7	A'	1631	1590
8	A'	1457	1420
9	A'	1405	1369
10	A'	1309	1276
11	A'	1248	1216
12	A'	1033	1007
13	A'	906	884
14	A'	640	624
15	A'	520	507
16	A'	379	370
17	A'	243	237
18	A"	996	971
19	A"	933	909
20	A"	889	867
21	A"	749	730
22	A"	663	647
23	A"	411	401
24	A"	146	142

Atom	x (Å)	y (Å)
C1	-0.306	1.889
C2	0.000	0.583
C3	1.374	0.077
C4	1.737	-1.215
Cl5	-1.289	-0.601
H6	0.494	2.619
H7	-1.329	2.236
H8	2.132	0.853
H9	2.783	-1.490
H10	1.001	-2.008

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3416	2.4713	3.7157	2.6765	1.0827	1.0803	2.6495	4.5783	4.1106
C2	1.3416		1.4641	2.4994	1.7496	2.0949	2.1213	2.1493	3.4701	2.7776
C3	2.4713	1.4641		1.3413	2.7472	2.6902	3.4597	1.0852	2.1072	2.1178
C4	3.7157	2.4994	1.3413		3.0869	4.0300	4.6160	2.1050	1.0818	1.0819
Cl5	2.6765	1.7496	2.7472	3.0869		3.6798	2.8371	3.7168	4.1674	2.6877
H6	1.0827	2.0949	2.6902	4.0300	3.6798		1.8625	2.4091	4.7036	4.6546
H7	1.0803	2.1213	3.4597	4.6160	2.8371	1.8625		3.7276	5.5492	4.8419
H8	2.6495	2.1493	1.0852	2.1050	3.7168	2.4091	3.7276		2.4316	3.0764
H9	4.5783	3.4701	2.1072	1.0818	4.1674	4.7036	5.5492	2.4316		1.8554
H10	4.1106	2.7776	2.1178	1.0819	2.6877	4.6546	4.8419	3.0764	1.8554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.417	C1	C2	Cl5	119.376
C2	C1	H6	119.188	C2	C1	H7	121.931
C2	C3	C4	125.921	C2	C3	H8	114.113
C3	C2	Cl5	117.207	C3	C4	H9	120.446
C3	C4	H10	121.475	C4	C3	H8	119.965
H6	C1	H7	118.881	H9	C4	H10	118.079

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

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

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