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	hartrees
Energy at 0K	-611.153640
Energy at 298.15K
HF Energy	-610.773610
Nuclear repulsion energy	194.323679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3101	0.93
2	A'	3320	3093	5.12
3	A'	3242	3020	4.00
4	A'	3235	3014	1.82
5	A'	3215	2995	2.68
6	A'	1785	1663	10.47
7	A'	1729	1611	19.69
8	A'	1561	1454	1.80
9	A'	1517	1414	5.31
10	A'	1415	1318	1.32
11	A'	1297	1208	45.94
12	A'	1122	1045	9.79
13	A'	929	866	10.00
14	A'	619	576	19.35
15	A'	530	493	7.72
16	A'	399	372	0.95
17	A'	256	238	0.38
18	A"	1058	985	23.92
19	A"	1026	955	67.57
20	A"	1014	944	46.55
21	A"	796	742	0.41
22	A"	701	653	0.75
23	A"	425	396	9.28
24	A"	132	123	0.42

Atom	x (Å)	y (Å)
C1	-0.408	1.881
C2	0.000	0.620
C3	1.397	0.170
C4	1.824	-1.091
Cl5	-1.287	-0.709
H6	0.317	2.686
H7	-1.452	2.154
H8	2.113	0.987
H9	2.880	-1.322
H10	1.141	-1.929

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3259	2.4873	3.7170	2.7358	1.0829	1.0791	2.6747	4.5906	4.1134
C2	1.3259		1.4679	2.5007	1.8501	2.0901	2.1125	2.1445	3.4737	2.7927
C3	2.4873	1.4679		1.3316	2.8249	2.7374	3.4719	1.0858	2.1038	2.1151
C4	3.7170	2.5007	1.3316		3.1342	4.0661	4.6111	2.0982	1.0815	1.0809
Cl5	2.7358	1.8501	2.8249	3.1342		3.7549	2.8682	3.7996	4.2123	2.7174
H6	1.0829	2.0901	2.7374	4.0661	3.7549		1.8474	2.4717	4.7571	4.6878
H7	1.0791	2.1125	3.4719	4.6111	2.8682	1.8474		3.7510	5.5545	4.8371
H8	2.6747	2.1445	1.0858	2.0982	3.7996	2.4717	3.7510		2.4332	3.0738
H9	4.5906	3.4737	2.1038	1.0815	4.2123	4.7571	5.5545	2.4332		1.8422
H10	4.1134	2.7927	2.1151	1.0809	2.7174	4.6878	4.8371	3.0738	1.8422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.745	C1	C2	Cl5	118.005
C2	C1	H6	120.042	C2	C1	H7	122.555
C2	C3	C4	126.508	C2	C3	H8	113.390
C3	C2	Cl5	116.251	C3	C4	H9	120.999
C3	C4	H10	122.155	C4	C3	H8	120.102
H6	C1	H7	117.402	H9	C4	H10	116.846

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

using model chemistry: CID/3-21G

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/3-21G

States and conformations

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