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	hartrees
Energy at 0K	-614.599912
Energy at 298.15K
HF Energy	-613.851418
Nuclear repulsion energy	195.318871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3277	3123
2	A'	3271	3117
3	A'	3178	3029
4	A'	3169	3021
5	A'	3163	3015
6	A'	1687	1607
7	A'	1628	1551
8	A'	1445	1377
9	A'	1394	1328
10	A'	1298	1237
11	A'	1245	1187
12	A'	1027	979
13	A'	906	863
14	A'	637	607
15	A'	517	493
16	A'	379	361
17	A'	243	232
18	A"	982	936
19	A"	908	865
20	A"	863	822
21	A"	731	697
22	A"	650	620
23	A"	403	384
24	A"	140	133

Atom	x (Å)	y (Å)
C1	-0.304	1.907
C2	0.000	0.585
C3	1.385	0.072
C4	1.755	-1.233
Cl5	-1.304	-0.600
H6	0.507	2.646
H7	-1.339	2.264
H8	2.153	0.859
H9	2.816	-1.509
H10	1.014	-2.041

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3569	2.4941	3.7550	2.6996	1.0972	1.0949	2.6718	4.6266	4.1627
C2	1.3569		1.4766	2.5266	1.7620	2.1224	2.1477	2.1706	3.5092	2.8151
C3	2.4941	1.4766		1.3562	2.7711	2.7194	3.4964	1.1000	2.1325	2.1452
C4	3.7550	2.5266	1.3562		3.1232	4.0744	4.6692	2.1291	1.0967	1.0962
Cl5	2.6996	1.7620	2.7711	3.1232		3.7172	2.8645	3.7523	4.2189	2.7292
H6	1.0972	2.1224	2.7194	4.0744	3.7172		1.8857	2.4297	4.7529	4.7143
H7	1.0949	2.1477	3.4964	4.6692	2.8645	1.8857		3.7647	5.6125	4.9064
H8	2.6718	2.1706	1.1000	2.1291	3.7523	2.4297	3.7647		2.4583	3.1155
H9	4.6266	3.5092	2.1325	1.0967	4.2189	4.7529	5.6125	2.4583		1.8791
H10	4.1627	2.8151	2.1452	1.0962	2.7292	4.7143	4.9064	3.1155	1.8791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.285	C1	C2	Cl5	119.325
C2	C1	H6	119.355	C2	C1	H7	121.961
C2	C3	C4	126.174	C2	C3	H8	114.000
C3	C2	Cl5	117.390	C3	C4	H9	120.403
C3	C4	H10	121.661	C4	C3	H8	119.826
H6	C1	H7	118.684	H9	C4	H10	117.936

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVDZ

States and conformations

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