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	hartrees
Energy at 0K
Energy at 298.15K	0.037032
HF Energy	0.037032
Nuclear repulsion energy	105.435618

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'	3213	3064	42.02	165.82	0.13	0.23
2	A'	3210	3061	72.05	56.53	0.14	0.25
3	A'	3176	3029	24.57	106.65	0.71	0.83
4	A'	3175	3027	14.86	127.80	0.63	0.77
5	A'	3138	2992	8.54	120.63	0.45	0.62
6	A'	1874	1787	3.67	634.34	0.31	0.47
7	A'	1816	1732	7.15	58.17	0.35	0.52
8	A'	1438	1372	7.19	52.25	0.56	0.72
9	A'	1405	1340	5.33	1.54	0.73	0.85
10	A'	1335	1273	42.85	21.79	0.46	0.63
11	A'	1313	1252	0.65	32.88	0.75	0.85
12	A'	1046	997	9.89	4.47	0.60	0.75
13	A'	968	923	0.70	1.60	0.73	0.84
14	A'	746	711	36.69	20.37	0.15	0.26
15	A'	539	514	0.18	9.72	0.57	0.73
16	A'	398	379	0.53	8.62	0.67	0.80
17	A'	251	240	0.25	4.88	0.69	0.82
18	A"	1060	1011	41.53	15.92	0.75	0.86
19	A"	1043	994	61.08	21.59	0.75	0.86
20	A"	963	918	20.42	24.31	0.75	0.86
21	A"	701	669	0.35	44.92	0.75	0.86
22	A"	592	565	0.02	4.09	0.75	0.86
23	A"	413	394	6.87	8.06	0.75	0.86
24	A"	26	25	0.23	6.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.276	1.876
C2	0.000	0.566
C3	1.358	0.047
C4	1.709	-1.239
Cl5	-1.285	-0.566
H6	0.521	2.631
H7	-1.301	2.271
H8	2.134	0.836
H9	2.764	-1.545
H10	0.986	-2.065

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3393	2.4529	3.6942	2.6428	1.0982	1.0974	2.6254	4.5770	4.1385
C2	1.3393		1.4537	2.4856	1.7129	2.1299	2.1443	2.1511	3.4779	2.8095
C3	2.4529	1.4537		1.3332	2.7138	2.7157	3.4658	1.1063	2.1241	2.1449
C4	3.6942	2.4856	1.3332		3.0693	4.0480	4.6234	2.1178	1.0985	1.0982
Cl5	2.6428	1.7129	2.7138	3.0693		3.6725	2.8371	3.6958	4.1663	2.7212
H6	1.0982	2.1299	2.7157	4.0480	3.6725		1.8572	2.4130	4.7399	4.7188
H7	1.0974	2.1443	3.4658	4.6234	2.8371	1.8572		3.7222	5.5750	4.9016
H8	2.6254	2.1511	1.1063	2.1178	3.6958	2.4130	3.7222		2.4626	3.1199
H9	4.5770	3.4779	2.1241	1.0985	4.1663	4.7399	5.5750	2.4626		1.8531
H10	4.1385	2.8095	2.1449	1.0982	2.7212	4.7188	4.9016	3.1199	1.8531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.807	C1	C2	Cl5	119.461
C2	C1	H6	121.495	C2	C1	H7	122.975
C2	C3	C4	126.167	C2	C3	H8	113.642
C3	C2	Cl5	117.732	C3	C4	H9	121.437
C3	C4	H10	123.522	C4	C3	H8	120.191
H6	C1	H7	115.530	H9	C4	H10	115.040

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

using model chemistry: AM1

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: AM1

States and conformations

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