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	hartrees
Energy at 0K	-614.828701
Energy at 298.15K
HF Energy	-613.908914
Nuclear repulsion energy	197.433335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3267	3267
2	A'	3259	3259
3	A'	3174	3174
4	A'	3166	3166
5	A'	3160	3160
6	A'	1685	1685
7	A'	1630	1630
8	A'	1460	1460
9	A'	1408	1408
10	A'	1312	1312
11	A'	1250	1250
12	A'	1036	1036
13	A'	907	907
14	A'	641	641
15	A'	522	522
16	A'	382	382
17	A'	243	243
18	A"	994	994
19	A"	919	919
20	A"	881	881
21	A"	744	744
22	A"	664	664
23	A"	414	414
24	A"	148	148

Atom	x (Å)	y (Å)
C1	-0.301	1.889
C2	0.000	0.581
C3	1.373	0.071
C4	1.733	-1.221
Cl5	-1.289	-0.595
H6	0.502	2.615
H7	-1.322	2.241
H8	2.133	0.846
H9	2.778	-1.499
H10	0.995	-2.013

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3420	2.4705	3.7155	2.6728	1.0825	1.0802	2.6472	4.5777	4.1112
C2	1.3420		1.4642	2.4998	1.7445	2.0955	2.1220	2.1490	3.4704	2.7781
C3	2.4705	1.4642		1.3414	2.7437	2.6891	3.4594	1.0854	2.1073	2.1178
C4	3.7155	2.4998	1.3414		3.0860	4.0290	4.6168	2.1054	1.0818	1.0818
Cl5	2.6728	1.7445	2.7437	3.0860		3.6758	2.8356	3.7125	4.1666	2.6889
H6	1.0825	2.0955	2.6891	4.0290	3.6758		1.8618	2.4062	4.7020	4.6544
H7	1.0802	2.1220	3.4594	4.6168	2.8356	1.8618		3.7254	5.5494	4.8439
H8	2.6472	2.1490	1.0854	2.1054	3.7125	2.4062	3.7254		2.4322	3.0767
H9	4.5777	3.4704	2.1073	1.0818	4.1666	4.7020	5.5494	2.4322		1.8553
H10	4.1112	2.7781	2.1178	1.0818	2.6889	4.6544	4.8439	3.0767	1.8553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.318	C1	C2	Cl5	119.417
C2	C1	H6	119.216	C2	C1	H7	121.965
C2	C3	C4	125.944	C2	C3	H8	114.069
C3	C2	Cl5	117.265	C3	C4	H9	120.453
C3	C4	H10	121.473	C4	C3	H8	119.987
H6	C1	H7	118.820	H9	C4	H10	118.075

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

using model chemistry: CCSD(T)/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: CCSD(T)/Def2TZVPP

States and conformations

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