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	hartrees
Energy at 0K	-614.637620
Energy at 298.15K
HF Energy	-613.893478
Nuclear repulsion energy	196.925674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3147	3.00
2	A'	3292	3142	5.20
3	A'	3206	3060	5.79
4	A'	3199	3053	2.15
5	A'	3191	3046	3.04
6	A'	1731	1652	6.05
7	A'	1670	1593	28.94
8	A'	1486	1418	0.43
9	A'	1438	1373	4.01
10	A'	1340	1279	0.27
11	A'	1267	1209	43.48
12	A'	1056	1008	4.18
13	A'	917	875	8.34
14	A'	647	618	18.59
15	A'	531	507	1.22
16	A'	394	376	1.30
17	A'	249	238	0.08
18	A"	972	928	29.12
19	A"	826	788	33.76
20	A"	795	759	39.50
21	A"	690	659	0.31
22	A"	589	563	1.08
23	A"	374	356	5.61
24	A"	77	74	0.10

Atom	x (Å)	y (Å)
C1	-0.302	1.883
C2	0.000	0.583
C3	1.377	0.076
C4	1.751	-1.205
Cl5	-1.300	-0.603
H6	0.494	2.617
H7	-1.323	2.236
H8	2.131	0.857
H9	2.800	-1.469
H10	1.034	-2.014

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3344	2.4664	3.7088	2.6791	1.0822	1.0800	2.6406	4.5672	4.1196
C2	1.3344		1.4673	2.5033	1.7599	2.0923	2.1170	2.1486	3.4717	2.7954
C3	2.4664	1.4673		1.3352	2.7615	2.6893	3.4573	1.0855	2.1008	2.1181
C4	3.7088	2.5033	1.3352		3.1099	4.0234	4.6146	2.0970	1.0815	1.0810
Cl5	2.6791	1.7599	2.7615	3.1099		3.6856	2.8397	3.7286	4.1904	2.7268
H6	1.0822	2.0923	2.6893	4.0234	3.6856		1.8558	2.4034	4.6914	4.6617
H7	1.0800	2.1170	3.4573	4.6146	2.8397	1.8558		3.7190	5.5431	4.8597
H8	2.6406	2.1486	1.0855	2.0970	3.7286	2.4034	3.7190		2.4201	3.0734
H9	4.5672	3.4717	2.1008	1.0815	4.1904	4.6914	5.5431	2.4201		1.8487
H10	4.1196	2.7954	2.1181	1.0810	2.7268	4.6617	4.8597	3.0734	1.8487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.297	C1	C2	Cl5	119.316
C2	C1	H6	119.582	C2	C1	H7	122.170
C2	C3	C4	126.506	C2	C3	H8	113.794
C3	C2	Cl5	117.388	C3	C4	H9	120.386
C3	C4	H10	122.124	C4	C3	H8	119.700
H6	C1	H7	118.248	H9	C4	H10	117.490

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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