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	hartrees
Energy at 0K	-614.829279
Energy at 298.15K
HF Energy	-613.908878
Nuclear repulsion energy	197.406422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3266	3266
2	A'	3258	3258
3	A'	3173	3173
4	A'	3165	3165
5	A'	3159	3159
6	A'	1683	1683
7	A'	1628	1628
8	A'	1459	1459
9	A'	1407	1407
10	A'	1312	1312
11	A'	1249	1249
12	A'	1036	1036
13	A'	907	907
14	A'	641	641
15	A'	521	521
16	A'	382	382
17	A'	243	243
18	A"	994	994
19	A"	918	918
20	A"	880	880
21	A"	743	743
22	A"	663	663
23	A"	413	413
24	A"	147	147

Atom	x (Å)	y (Å)
C1	-0.301	1.889
C2	0.000	0.581
C3	1.373	0.071
C4	1.733	-1.221
Cl5	-1.289	-0.595
H6	0.502	2.616
H7	-1.322	2.241
H8	2.133	0.846
H9	2.779	-1.499
H10	0.996	-2.013

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3422	2.4709	3.7162	2.6733	1.0826	1.0803	2.6476	4.5784	4.1118
C2	1.3422		1.4643	2.5002	1.7448	2.0958	2.1222	2.1491	3.4708	2.7785
C3	2.4709	1.4643		1.3417	2.7439	2.6896	3.4598	1.0854	2.1076	2.1180
C4	3.7162	2.5002	1.3417		3.0863	4.0297	4.6174	2.1057	1.0819	1.0819
Cl5	2.6733	1.7448	2.7439	3.0863		3.6763	2.8359	3.7129	4.1670	2.6892
H6	1.0826	2.0958	2.6896	4.0297	3.6763		1.8620	2.4067	4.7028	4.6551
H7	1.0803	2.1222	3.4598	4.6174	2.8359	1.8620		3.7258	5.5501	4.8445
H8	2.6476	2.1491	1.0854	2.1057	3.7129	2.4067	3.7258		2.4325	3.0770
H9	4.5784	3.4708	2.1076	1.0819	4.1670	4.7028	5.5501	2.4325		1.8554
H10	4.1118	2.7785	2.1180	1.0819	2.6892	4.6551	4.8445	3.0770	1.8554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.323	C1	C2	Cl5	119.417
C2	C1	H6	119.217	C2	C1	H7	121.957
C2	C3	C4	125.947	C2	C3	H8	114.068
C3	C2	Cl5	117.260	C3	C4	H9	120.454
C3	C4	H10	121.470	C4	C3	H8	119.985
H6	C1	H7	118.826	H9	C4	H10	118.076

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

using model chemistry: QCISD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

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