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	hartrees
Energy at 0K	-614.116690
Energy at 298.15K
HF Energy	-613.740427
Nuclear repulsion energy	193.836044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3120	3.48
2	A'	3325	3110	9.46
3	A'	3242	3032	6.41
4	A'	3236	3026	2.45
5	A'	3212	3004	6.11
6	A'	1797	1680	8.40
7	A'	1727	1615	22.30
8	A'	1547	1447	0.77
9	A'	1498	1401	5.29
10	A'	1404	1313	1.18
11	A'	1300	1216	48.18
12	A'	1106	1034	9.03
13	A'	942	881	7.45
14	A'	621	581	22.53
15	A'	537	502	5.70
16	A'	400	374	1.04
17	A'	252	235	0.29
18	A"	1044	977	30.91
19	A"	1011	945	58.59
20	A"	994	929	49.59
21	A"	784	733	0.38
22	A"	695	650	0.26
23	A"	426	398	7.64
24	A"	127	119	0.24

Atom	x (Å)	y (Å)
C1	-0.381	1.892
C2	0.000	0.611
C3	1.395	0.146
C4	1.827	-1.123
Cl5	-1.303	-0.686
H6	0.366	2.679
H7	-1.420	2.193
H8	2.119	0.960
H9	2.887	-1.349
H10	1.151	-1.969

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3364	2.4904	3.7370	2.7379	1.0853	1.0815	2.6677	4.6025	4.1540
C2	1.3364		1.4705	2.5188	1.8386	2.1002	2.1256	2.1471	3.4894	2.8253
C3	2.4904	1.4705		1.3407	2.8237	2.7338	3.4803	1.0888	2.1121	2.1298
C4	3.7370	2.5188	1.3407		3.1604	4.0730	4.6407	2.1033	1.0839	1.0835
Cl5	2.7379	1.8386	2.8237	3.1604		3.7564	2.8813	3.7970	4.2423	2.7690
H6	1.0853	2.1002	2.7338	4.0730	3.7564		1.8510	2.4548	4.7516	4.7142
H7	1.0815	2.1256	3.4803	4.6407	2.8813	1.8510		3.7470	5.5761	4.8920
H8	2.6677	2.1471	1.0888	2.1033	3.7970	2.4548	3.7470		2.4333	3.0852
H9	4.6025	3.4894	2.1121	1.0839	4.2423	4.7516	5.5761	2.4333		1.8442
H10	4.1540	2.8253	2.1298	1.0835	2.7690	4.7142	4.8920	3.0852	1.8442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.990	C1	C2	Cl5	118.301
C2	C1	H6	119.922	C2	C1	H7	122.725
C2	C3	C4	127.210	C2	C3	H8	113.215
C3	C2	Cl5	116.710	C3	C4	H9	120.809
C3	C4	H10	122.584	C4	C3	H8	119.575
H6	C1	H7	117.353	H9	C4	H10	116.607

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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