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	hartrees
Energy at 0K	-615.717242
Energy at 298.15K
HF Energy	-615.023018
Nuclear repulsion energy	207.820303

Atom	x (Å)	y (Å)	z (Å)
H1	3.236	-1.293	-0.412
C2	1.408	-0.423	0.214
H3	3.170	0.549	-0.463
C4	2.668	-0.387	-0.245
H5	0.278	0.846	1.515
C6	0.573	0.797	0.463
H7	-1.215	1.787	-0.242
H8	-0.432	0.744	-1.451
C9	-0.680	0.853	-0.397
H10	0.939	-1.379	0.425
H11	1.160	1.693	0.243
Cl12	-1.821	-0.470	0.010

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1187	1.8438	1.0819	4.1270	3.4962	5.4152	4.3222	4.4648	2.4464	3.6948	5.1405
C2	2.1187		2.1234	1.3420	2.1398	1.4992	3.4603	2.7422	2.5218	1.0855	2.1309	3.2355
H3	1.8438	2.1234		1.0839	3.5159	2.7686	4.5618	3.7404	3.8622	3.0798	2.4177	5.1157
C4	1.0819	1.3420	1.0839		3.2139	2.5089	4.4505	3.5136	3.5734	2.1038	2.6150	4.4973
H5	4.1270	2.1398	3.5159	3.2139		1.0933	2.4907	3.0512	2.1382	2.5638	1.7644	2.8984
C6	3.4962	1.4992	2.7686	2.5089	1.0933		2.1620	2.1622	1.5201	2.2064	1.0944	2.7453
H7	5.4152	3.4603	4.5618	4.4505	2.4907	2.1620		1.7781	1.0879	3.8869	2.4264	2.3503
H8	4.3222	2.7422	3.7404	3.5136	3.0512	2.1622	1.7781		1.0881	3.1472	2.5113	2.3527
C9	4.4648	2.5218	3.8622	3.5734	2.1382	1.5201	1.0879	1.0881		2.8767	2.1217	1.7936
H10	2.4464	1.0855	3.0798	2.1038	2.5638	2.2064	3.8869	3.1472	2.8767		3.0854	2.9349
H11	3.6948	2.1309	2.4177	2.6150	1.7644	1.0944	2.4264	2.5113	2.1217	3.0854		3.6905
Cl12	5.1405	3.2355	5.1157	4.4973	2.8984	2.7453	2.3503	2.3527	1.7936	2.9349	3.6905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.503	H1	C4	H3	116.705
C2	C4	H3	121.791	C2	C6	H5	110.271
C2	C6	C9	113.275	C2	C6	H11	109.500
C4	C2	C6	123.924	C4	C2	H10	119.770
H5	C6	C9	108.711	H5	C6	H11	107.519
C6	C2	H10	116.305	C6	C9	H7	110.907
C6	C9	H8	110.910	C6	C9	Cl12	111.624
H7	C9	H8	109.600	H7	C9	Cl12	106.733
H8	C9	Cl12	106.900	C9	C6	H11	107.367

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)

using model chemistry: MP2/6-31+G**

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 CH2CHCH2CH2Cl (1-Butene, 4-chloro-)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)