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	hartrees
Energy at 0K	-614.605289
Energy at 298.15K
HF Energy	-613.860875
Nuclear repulsion energy	195.775918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3171	2.13
2	A'	3280	3164	4.53
3	A'	3192	3079	5.75
4	A'	3182	3069	1.12
5	A'	3177	3064	1.94
6	A'	1729	1667	5.75
7	A'	1663	1604	28.90
8	A'	1463	1411	0.66
9	A'	1414	1364	5.00
10	A'	1320	1273	0.18
11	A'	1254	1210	41.09
12	A'	1038	1001	2.51
13	A'	915	883	7.39
14	A'	645	622	18.11
15	A'	524	506	1.18
16	A'	389	376	1.57
17	A'	248	239	0.08
18	A"	999	964	18.75
19	A"	957	923	34.57
20	A"	921	889	36.10
21	A"	753	726	1.16
22	A"	669	645	0.06
23	A"	412	397	9.03
24	A"	146	141	0.31

Atom	x (Å)	y (Å)
C1	-0.306	1.900
C2	0.000	0.586
C3	1.384	0.072
C4	1.753	-1.226
Cl5	-1.302	-0.600
H6	0.501	2.638
H7	-1.338	2.253
H8	2.150	0.857
H9	2.811	-1.500
H10	1.017	-2.034

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3485	2.4894	3.7428	2.6912	1.0936	1.0915	2.6683	4.6123	4.1499
C2	1.3485		1.4768	2.5213	1.7614	2.1120	2.1377	2.1672	3.5007	2.8104
C3	2.4894	1.4768		1.3493	2.7689	2.7140	3.4888	1.0966	2.1229	2.1376
C4	3.7428	2.5213	1.3493		3.1178	4.0620	4.6542	2.1205	1.0932	1.0928
Cl5	2.6912	1.7614	2.7689	3.1178		3.7064	2.8539	3.7469	4.2099	2.7256
H6	1.0936	2.1120	2.7140	4.0620	3.7064		1.8792	2.4277	4.7394	4.7003
H7	1.0915	2.1377	3.4888	4.6542	2.8539	1.8792		3.7578	5.5951	4.8913
H8	2.6683	2.1672	1.0966	2.1205	3.7469	2.4277	3.7578		2.4478	3.1049
H9	4.6123	3.5007	2.1229	1.0932	4.2099	4.7394	5.5951	2.4478		1.8720
H10	4.1499	2.8104	2.1376	1.0928	2.7256	4.7003	4.8913	3.1049	1.8720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.488	C1	C2	Cl5	119.254
C2	C1	H6	119.366	C2	C1	H7	121.998
C2	C3	C4	126.228	C2	C3	H8	113.919
C3	C2	Cl5	117.259	C3	C4	H9	120.362
C3	C4	H10	121.809	C4	C3	H8	119.853
H6	C1	H7	118.636	H9	C4	H10	117.830

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

using model chemistry: CCD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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