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	hartrees
Energy at 0K	-614.530203
Energy at 298.15K
HF Energy	-613.816505
Nuclear repulsion energy	196.260595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3271	3138
2	A'	3266	3133
3	A'	3181	3052
4	A'	3176	3047
5	A'	3161	3032
6	A'	1705	1635
7	A'	1647	1580
8	A'	1480	1420
9	A'	1427	1368
10	A'	1335	1280
11	A'	1270	1218
12	A'	1053	1010
13	A'	919	881
14	A'	645	619
15	A'	529	508
16	A'	390	374
17	A'	249	239
18	A"	982	942
19	A"	908	871
20	A"	867	832
21	A"	735	705
22	A"	654	627
23	A"	403	387
24	A"	132	126

Atom	x (Å)	y (Å)
C1	-0.304	1.895
C2	0.000	0.582
C3	1.378	0.073
C4	1.752	-1.221
Cl5	-1.300	-0.600
H6	0.495	2.635
H7	-1.330	2.253
H8	2.139	0.857
H9	2.806	-1.493
H10	1.029	-2.034

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3476	2.4790	3.7328	2.6858	1.0891	1.0869	2.6544	4.5988	4.1484
C2	1.3476		1.4686	2.5138	1.7565	2.1122	2.1358	2.1569	3.4898	2.8107
C3	2.4790	1.4686		1.3473	2.7608	2.7098	3.4760	1.0928	2.1199	2.1357
C4	3.7328	2.5138	1.3473		3.1143	4.0559	4.6440	2.1138	1.0884	1.0878
Cl5	2.6858	1.7565	2.7608	3.1143		3.6993	2.8528	3.7348	4.2016	2.7349
H6	1.0891	2.1122	2.7098	4.0559	3.6993		1.8643	2.4221	4.7315	4.6995
H7	1.0869	2.1358	3.4760	4.6440	2.8528	1.8643		3.7396	5.5803	4.8930
H8	2.6544	2.1569	1.0928	2.1138	3.7348	2.4221	3.7396		2.4432	3.0967
H9	4.5988	3.4898	2.1199	1.0884	4.2016	4.7315	5.5803	2.4432		1.8570
H10	4.1484	2.8107	2.1357	1.0878	2.7349	4.6995	4.8930	3.0967	1.8570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.290	C1	C2	Cl5	119.240
C2	C1	H6	119.807	C2	C1	H7	122.279
C2	C3	C4	126.385	C2	C3	H8	113.918
C3	C2	Cl5	117.470	C3	C4	H9	120.626
C3	C4	H10	122.222	C4	C3	H8	119.697
H6	C1	H7	117.913	H9	C4	H10	117.152

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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