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	hartrees
Energy at 0K	-614.139385
Energy at 298.15K
HF Energy	-613.737972
Nuclear repulsion energy	192.605574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3292	3149	3.38	58.85	0.73	0.84
2	A'	3284	3142	8.70	58.17	0.68	0.81
3	A'	3191	3053	4.53	136.47	0.12	0.21
4	A'	3184	3047	3.24	92.63	0.15	0.26
5	A'	3158	3022	7.52	45.41	0.43	0.60
6	A'	1705	1631	6.81	54.09	0.36	0.53
7	A'	1643	1572	23.36	1.45	0.74	0.85
8	A'	1517	1452	0.75	40.91	0.43	0.60
9	A'	1461	1398	2.27	2.49	0.52	0.69
10	A'	1370	1310	1.09	14.35	0.33	0.50
11	A'	1267	1213	44.84	10.10	0.31	0.48
12	A'	1077	1031	9.12	3.63	0.73	0.84
13	A'	920	880	7.08	0.89	0.38	0.55
14	A'	601	575	19.25	13.13	0.17	0.29
15	A'	520	497	5.78	5.79	0.64	0.78
16	A'	387	371	0.95	3.60	0.73	0.84
17	A'	245	234	0.25	2.87	0.70	0.82
18	A"	1003	960	39.06	0.33	0.75	0.86
19	A"	940	900	41.77	0.23	0.75	0.86
20	A"	916	876	53.88	0.49	0.75	0.86
21	A"	752	720	0.55	19.76	0.75	0.86
22	A"	666	637	0.43	1.89	0.75	0.86
23	A"	406	388	6.42	4.17	0.75	0.86
24	A"	124	119	0.19	3.55	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.398	1.905
C2	0.000	0.614
C3	1.399	0.161
C4	1.844	-1.119
Cl5	-1.304	-0.702
H6	0.348	2.700
H7	-1.445	2.195
H8	2.124	0.980
H9	2.910	-1.338
H10	1.166	-1.970

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3513	2.5049	3.7649	2.7599	1.0900	1.0860	2.6867	4.6326	4.1792
C2	1.3513		1.4710	2.5306	1.8526	2.1149	2.1420	2.1556	3.5038	2.8351
C3	2.5049	1.4710		1.3550	2.8379	2.7485	3.4970	1.0941	2.1277	2.1438
C4	3.7649	2.5306	1.3550		3.1756	4.1019	4.6692	2.1183	1.0882	1.0881
Cl5	2.7599	1.8526	2.8379	3.1756		3.7817	2.9005	3.8189	4.2618	2.7767
H6	1.0900	2.1149	2.7485	4.1019	3.7817		1.8622	2.4725	4.7822	4.7415
H7	1.0860	2.1420	3.4970	4.6692	2.9005	1.8622		3.7701	5.6077	4.9160
H8	2.6867	2.1556	1.0941	2.1183	3.8189	2.4725	3.7701		2.4477	3.1024
H9	4.6326	3.5038	2.1277	1.0882	4.2618	4.7822	5.6077	2.4477		1.8551
H10	4.1792	2.8351	2.1438	1.0881	2.7767	4.7415	4.9160	3.1024	1.8551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.086	C1	C2	Cl5	118.112
C2	C1	H6	119.678	C2	C1	H7	122.633
C2	C3	C4	127.092	C2	C3	H8	113.543
C3	C2	Cl5	116.803	C3	C4	H9	120.735
C3	C4	H10	122.310	C4	C3	H8	119.366
H6	C1	H7	117.689	H9	C4	H10	116.955

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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