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	hartrees
Energy at 0K	-611.414231
Energy at 298.15K
HF Energy	-610.877828
Nuclear repulsion energy	195.453239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3098	3.34
2	A'	3231	3091	6.99
3	A'	3154	3017	3.56
4	A'	3151	3014	1.74
5	A'	3131	2995	4.56
6	A'	1698	1625	4.30
7	A'	1655	1583	20.34
8	A'	1518	1452	1.50
9	A'	1470	1406	3.06
10	A'	1372	1312	0.42
11	A'	1262	1208	31.47
12	A'	1094	1046	7.65
13	A'	900	861	10.13
14	A'	623	596	16.09
15	A'	536	513	2.59
16	A'	401	384	0.65
17	A'	253	242	0.28
18	A"	999	956	27.95
19	A"	957	916	44.84
20	A"	933	892	47.70
21	A"	754	721	0.78
22	A"	667	638	0.78
23	A"	404	387	7.55
24	A"	122	117	0.25

Atom	x (Å)	y (Å)
C1	-0.317	1.897
C2	0.000	0.593
C3	1.392	0.082
C4	1.763	-1.210
Cl5	-1.303	-0.614
H6	0.469	2.652
H7	-1.346	2.246
H8	2.150	0.869
H9	2.814	-1.492
H10	1.038	-2.021

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3428	2.4928	3.7389	2.6976	1.0892	1.0866	2.6727	4.6143	4.1455
C2	1.3428		1.4823	2.5211	1.7756	2.1120	2.1323	2.1678	3.5020	2.8116
C3	2.4928	1.4823		1.3443	2.7833	2.7302	3.4897	1.0926	2.1217	2.1326
C4	3.7389	2.5211	1.3443		3.1234	4.0727	4.6486	2.1145	1.0883	1.0879
Cl5	2.6976	1.7756	2.7833	3.1234		3.7151	2.8602	3.7580	4.2097	2.7311
H6	1.0892	2.1120	2.7302	4.0727	3.7151		1.8593	2.4506	4.7616	4.7069
H7	1.0866	2.1323	3.4897	4.6486	2.8602	1.8593		3.7575	5.5930	4.8876
H8	2.6727	2.1678	1.0926	2.1145	3.7580	2.4506	3.7575		2.4528	3.0963
H9	4.6143	3.5020	2.1217	1.0883	4.2097	4.7616	5.5930	2.4528		1.8531
H10	4.1455	2.8116	2.1326	1.0879	2.7311	4.7069	4.8876	3.0963	1.8531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.781	C1	C2	Cl5	119.134
C2	C1	H6	120.191	C2	C1	H7	122.386
C2	C3	C4	126.153	C2	C3	H8	113.818
C3	C2	Cl5	117.086	C3	C4	H9	121.069
C3	C4	H10	122.168	C4	C3	H8	120.029
H6	C1	H7	117.423	H9	C4	H10	116.763

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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