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	hartrees
Energy at 0K	-611.419745
Energy at 298.15K
HF Energy	-610.877396
Nuclear repulsion energy	195.251017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3103	3.17
2	A'	3221	3095	7.11
3	A'	3143	3021	3.84
4	A'	3139	3017	1.76
5	A'	3121	3000	3.90
6	A'	1685	1619	4.35
7	A'	1643	1579	20.82
8	A'	1513	1454	1.54
9	A'	1462	1405	3.05
10	A'	1366	1313	0.57
11	A'	1256	1207	31.76
12	A'	1090	1048	8.00
13	A'	895	860	10.54
14	A'	617	593	16.39
15	A'	533	512	2.94
16	A'	398	383	0.75
17	A'	253	243	0.25
18	A"	996	958	29.56
19	A"	952	915	41.15
20	A"	927	891	47.24
21	A"	751	722	0.77
22	A"	665	639	0.82
23	A"	404	388	7.53
24	A"	125	120	0.28

Atom	x (Å)	y (Å)
C1	-0.322	1.900
C2	0.000	0.594
C3	1.393	0.086
C4	1.765	-1.208
Cl5	-1.302	-0.618
H6	0.462	2.657
H7	-1.353	2.245
H8	2.150	0.875
H9	2.817	-1.489
H10	1.040	-2.019

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3450	2.4961	3.7439	2.7019	1.0898	1.0870	2.6763	4.6199	4.1490
C2	1.3450		1.4825	2.5226	1.7788	2.1141	2.1347	2.1681	3.5039	2.8125
C3	2.4961	1.4825		1.3466	2.7851	2.7344	3.4929	1.0931	2.1240	2.1347
C4	3.7439	2.5226	1.3466		3.1235	4.0790	4.6528	2.1176	1.0888	1.0884
Cl5	2.7019	1.7788	2.7851	3.1235		3.7198	2.8639	3.7606	4.2103	2.7289
H6	1.0898	2.1141	2.7344	4.0790	3.7198		1.8605	2.4552	4.7690	4.7119
H7	1.0870	2.1347	3.4929	4.6528	2.8639	1.8605		3.7614	5.5980	4.8899
H8	2.6763	2.1681	1.0931	2.1176	3.7606	2.4552	3.7614		2.4563	3.0993
H9	4.6199	3.5039	2.1240	1.0888	4.2103	4.7690	5.5980	2.4563		1.8546
H10	4.1490	2.8125	2.1347	1.0884	2.7289	4.7119	4.8899	3.0993	1.8546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.895	C1	C2	Cl5	119.095
C2	C1	H6	120.154	C2	C1	H7	122.390
C2	C3	C4	126.105	C2	C3	H8	113.807
C3	C2	Cl5	117.009	C3	C4	H9	121.055
C3	C4	H10	122.121	C4	C3	H8	120.088
H6	C1	H7	117.456	H9	C4	H10	116.824

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

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

States and conformations

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