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	hartrees
Energy at 0K	-614.592047
Energy at 298.15K
HF Energy	-613.893157
Nuclear repulsion energy	197.423711

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'	3318	3145	1.45	51.75	0.75	0.85
2	A'	3314	3141	3.03	61.56	0.68	0.81
3	A'	3217	3049	3.92	196.24	0.13	0.23
4	A'	3211	3044	1.26	74.81	0.14	0.25
5	A'	3203	3036	2.58	21.27	0.72	0.84
6	A'	1702	1613	5.02	121.45	0.23	0.38
7	A'	1641	1555	32.44	3.66	0.30	0.46
8	A'	1476	1399	0.75	43.49	0.39	0.56
9	A'	1428	1354	4.05	2.32	0.44	0.61
10	A'	1328	1259	0.04	20.36	0.28	0.44
11	A'	1262	1196	46.01	11.41	0.50	0.67
12	A'	1046	992	5.25	3.86	0.57	0.73
13	A'	918	870	8.11	0.54	0.58	0.73
14	A'	652	618	19.30	9.18	0.14	0.25
15	A'	531	504	0.97	4.72	0.60	0.75
16	A'	394	373	1.35	3.56	0.75	0.86
17	A'	250	237	0.06	2.43	0.69	0.82
18	A"	968	918	29.82	0.08	0.75	0.86
19	A"	786	745	27.34	0.59	0.75	0.86
20	A"	738	699	53.23	0.26	0.75	0.86
21	A"	675	640	0.44	1.93	0.75	0.86
22	A"	544	516	1.73	10.49	0.75	0.86
23	A"	360	341	4.40	0.94	0.75	0.86
24	A"	67	63	0.06	0.76	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.303	1.884
C2	0.000	0.580
C3	1.370	0.080
C4	1.742	-1.204
Cl5	-1.292	-0.604
H6	0.496	2.612
H7	-1.324	2.234
H8	2.126	0.859
H9	2.790	-1.468
H10	1.019	-2.007

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3383	2.4599	3.7039	2.6768	1.0815	1.0795	2.6365	4.5608	4.1085
C2	1.3383		1.4582	2.4939	1.7523	2.0917	2.1185	2.1443	3.4612	2.7799
C3	2.4599	1.4582		1.3373	2.7482	2.6784	3.4490	1.0854	2.1009	2.1160
C4	3.7039	2.4939	1.3373		3.0932	4.0146	4.6069	2.0984	1.0806	1.0805
Cl5	2.6768	1.7523	2.7482	3.0932		3.6796	2.8377	3.7178	4.1728	2.7030
H6	1.0815	2.0917	2.6784	4.0146	3.6796		1.8594	2.3938	4.6806	4.6480
H7	1.0795	2.1185	3.4490	4.6069	2.8377	1.8594		3.7141	5.5345	4.8444
H8	2.6365	2.1443	1.0854	2.0984	3.7178	2.3938	3.7141		2.4195	3.0719
H9	4.5608	3.4612	2.1009	1.0806	4.1728	4.6806	5.5345	2.4195		1.8519
H10	4.1085	2.7799	2.1160	1.0805	2.7030	4.6480	4.8444	3.0719	1.8519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.140	C1	C2	Cl5	119.412
C2	C1	H6	119.255	C2	C1	H7	122.015
C2	C3	C4	126.228	C2	C3	H8	114.110
C3	C2	Cl5	117.447	C3	C4	H9	120.288
C3	C4	H10	121.768	C4	C3	H8	119.662
H6	C1	H7	118.730	H9	C4	H10	117.944

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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