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	hartrees
Energy at 0K	-614.571376
Energy at 298.15K
HF Energy	-613.826184
Nuclear repulsion energy	196.524484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3325	3154
2	A'	3320	3149
3	A'	3227	3061
4	A'	3221	3055
5	A'	3211	3045
6	A'	1714	1626
7	A'	1659	1573
8	A'	1491	1414
9	A'	1434	1361
10	A'	1337	1268
11	A'	1272	1207
12	A'	1056	1002
13	A'	923	876
14	A'	646	613
15	A'	529	502
16	A'	390	370
17	A'	248	235
18	A"	992	941
19	A"	911	864
20	A"	870	825
21	A"	737	699
22	A"	656	622
23	A"	405	384
24	A"	134	127

Atom	x (Å)	y (Å)
C1	-0.301	1.894
C2	0.000	0.581
C3	1.378	0.073
C4	1.750	-1.220
Cl5	-1.300	-0.599
H6	0.497	2.625
H7	-1.321	2.249
H8	2.135	0.852
H9	2.798	-1.491
H10	1.026	-2.024

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3467	2.4760	3.7286	2.6849	1.0828	1.0805	2.6494	4.5889	4.1364
C2	1.3467		1.4681	2.5113	1.7551	2.1039	2.1283	2.1523	3.4814	2.7999
C3	2.4760	1.4681		1.3462	2.7604	2.6994	3.4668	1.0863	2.1129	2.1267
C4	3.7286	2.5113	1.3462		3.1125	4.0444	4.6337	2.1078	1.0820	1.0816
Cl5	2.6849	1.7551	2.7604	3.1125		3.6908	2.8481	3.7286	4.1934	2.7281
H6	1.0828	2.1039	2.6994	4.0444	3.6908		1.8568	2.4138	4.7155	4.6793
H7	1.0805	2.1283	3.4668	4.6337	2.8481	1.8568		3.7281	5.5639	4.8758
H8	2.6494	2.1523	1.0863	2.1078	3.7286	2.4138	3.7281		2.4351	3.0825
H9	4.5889	3.4814	2.1129	1.0820	4.1934	4.7155	5.5639	2.4351		1.8496
H10	4.1364	2.7999	2.1267	1.0816	2.7281	4.6793	4.8758	3.0825	1.8496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.136	C1	C2	Cl5	119.310
C2	C1	H6	119.594	C2	C1	H7	122.142
C2	C3	C4	126.282	C2	C3	H8	113.988
C3	C2	Cl5	117.555	C3	C4	H9	120.563
C3	C4	H10	121.942	C4	C3	H8	119.730
H6	C1	H7	118.265	H9	C4	H10	117.495

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

using model chemistry: CCSD(T)/6-31G**

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)/6-31G**

States and conformations

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