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	hartrees
Energy at 0K	-614.617878
Energy at 298.15K
HF Energy	-613.869860
Nuclear repulsion energy	196.181653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3243	3121
2	A'	3239	3118
3	A'	3152	3034
4	A'	3144	3026
5	A'	3138	3021
6	A'	1683	1620
7	A'	1626	1565
8	A'	1462	1407
9	A'	1408	1355
10	A'	1319	1270
11	A'	1257	1210
12	A'	1045	1006
13	A'	912	878
14	A'	643	619
15	A'	527	508
16	A'	390	375
17	A'	248	239
18	A"	967	931
19	A"	885	852
20	A"	840	809
21	A"	725	697
22	A"	643	619
23	A"	395	381
24	A"	126	121

Atom	x (Å)	y (Å)
C1	-0.300	1.895
C2	0.000	0.581
C3	1.380	0.069
C4	1.752	-1.227
Cl5	-1.303	-0.594
H6	0.502	2.632
H7	-1.326	2.253
H8	2.144	0.850
H9	2.807	-1.497
H10	1.029	-2.039

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3481	2.4817	3.7366	2.6837	1.0890	1.0868	2.6585	4.6001	4.1528
C2	1.3481		1.4718	2.5179	1.7545	2.1114	2.1344	2.1607	3.4922	2.8149
C3	2.4817	1.4718		1.3483	2.7632	2.7095	3.4778	1.0926	2.1184	2.1368
C4	3.7366	2.5179	1.3483		3.1199	4.0566	4.6466	2.1133	1.0883	1.0876
Cl5	2.6837	1.7545	2.7632	3.1199		3.6965	2.8475	3.7369	4.2073	2.7429
H6	1.0890	2.1114	2.7095	4.0566	3.6965		1.8670	2.4235	4.7287	4.7007
H7	1.0868	2.1344	3.4778	4.6466	2.8475	1.8670		3.7434	5.5809	4.8960
H8	2.6585	2.1607	1.0926	2.1133	3.7369	2.4235	3.7434		2.4385	3.0965
H9	4.6001	3.4922	2.1184	1.0883	4.2073	4.7287	5.5809	2.4385		1.8586
H10	4.1528	2.8149	2.1368	1.0876	2.7429	4.7007	4.8960	3.0965	1.8586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.241	C1	C2	Cl5	119.185
C2	C1	H6	119.698	C2	C1	H7	122.100
C2	C3	C4	126.414	C2	C3	H8	114.007
C3	C2	Cl5	117.574	C3	C4	H9	120.408
C3	C4	H10	122.254	C4	C3	H8	119.579
H6	C1	H7	118.202	H9	C4	H10	117.338

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

using model chemistry: CCSD(T)/6-311G*

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)/6-311G*

States and conformations

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