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	hartrees
Energy at 0K	-614.830446
Energy at 298.15K
HF Energy	-613.908677
Nuclear repulsion energy	197.406071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3269	3269
2	A'	3262	3262
3	A'	3171	3171
4	A'	3166	3166
5	A'	3157	3157
6	A'	1674	1674
7	A'	1616	1616
8	A'	1455	1455
9	A'	1403	1403
10	A'	1307	1307
11	A'	1245	1245
12	A'	1031	1031
13	A'	904	904
14	A'	638	638
15	A'	519	519
16	A'	379	379
17	A'	244	244
18	A"	996	996
19	A"	914	914
20	A"	872	872
21	A"	744	744
22	A"	662	662
23	A"	414	414
24	A"	145	145

Atom	x (Å)	y (Å)
C1	-0.302	1.891
C2	0.000	0.582
C3	1.371	0.073
C4	1.731	-1.221
Cl5	-1.287	-0.597
H6	0.500	2.618
H7	-1.324	2.244
H8	2.133	0.847
H9	2.777	-1.499
H10	0.992	-2.011

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3439	2.4716	3.7177	2.6761	1.0825	1.0804	2.6494	4.5797	4.1111
C2	1.3439		1.4628	2.4994	1.7452	2.0966	2.1244	2.1491	3.4698	2.7758
C3	2.4716	1.4628		1.3426	2.7411	2.6903	3.4606	1.0863	2.1082	2.1176
C4	3.7177	2.4994	1.3426		3.0817	4.0313	4.6189	2.1068	1.0820	1.0819
Cl5	2.6761	1.7452	2.7411	3.0817		3.6782	2.8408	3.7120	4.1625	2.6815
H6	1.0825	2.0966	2.6903	4.0313	3.6782		1.8619	2.4084	4.7042	4.6547
H7	1.0804	2.1244	3.4606	4.6189	2.8408	1.8619		3.7277	5.5514	4.8435
H8	2.6494	2.1491	1.0863	2.1068	3.7120	2.4084	3.7277		2.4328	3.0773
H9	4.5797	3.4698	2.1082	1.0820	4.1625	4.7042	5.5514	2.4328		1.8570
H10	4.1111	2.7758	2.1176	1.0819	2.6815	4.6547	4.8435	3.0773	1.8570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.375	C1	C2	Cl5	119.496
C2	C1	H6	119.158	C2	C1	H7	122.018
C2	C3	C4	125.925	C2	C3	H8	114.129
C3	C2	Cl5	117.129	C3	C4	H9	120.426
C3	C4	H10	121.342	C4	C3	H8	119.947
H6	C1	H7	118.824	H9	C4	H10	118.233

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

using model chemistry: MP4/Def2TZVPP

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: MP4/Def2TZVPP

States and conformations

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