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	hartrees
Energy at 0K	-615.759728
Energy at 298.15K
HF Energy	-615.020828
Nuclear repulsion energy	213.110043

Atom	x (Å)	y (Å)	z (Å)
H1	3.199	-0.783	0.415
C2	1.192	-0.129	0.432
H3	2.439	-0.497	-1.236
C4	2.334	-0.486	-0.159
H5	0.159	0.248	-1.390
C6	-0.020	0.325	-0.321
H7	-0.655	1.809	1.111
H8	-1.332	2.032	-0.506
H9	0.367	2.428	-0.195
C10	-0.443	1.739	0.046
H11	1.101	-0.130	1.512
Cl12	-1.392	-0.812	0.017

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1109	1.8393	1.0799	3.6825	3.4826	4.6963	5.4135	4.3244	4.4452	2.4562	4.6078
C2	2.1109		2.1151	1.3345	2.1283	1.4971	2.7616	3.4530	2.7584	2.5122	1.0838	2.7046
H3	1.8393	2.1151		1.0818	2.4039	2.7497	4.5168	4.5997	3.7332	3.8668	3.0786	4.0428
C4	1.0799	1.3345	1.0818		2.6044	2.4945	3.9766	4.4613	3.5159	3.5642	2.1072	3.7436
H5	3.6825	2.1283	2.4039	2.6044		1.0870	3.0583	2.4877	2.4946	2.1559	3.0744	2.3471
C6	3.4826	1.4971	2.7497	2.4945	1.0870		2.1572	2.1612	2.1412	1.5206	2.1958	1.8140
H7	4.6963	2.7616	4.5168	3.9766	3.0583	2.1572		1.7674	1.7695	1.0881	2.6466	2.9338
H8	5.4135	3.4530	4.5997	4.4613	2.4877	2.1612	1.7674		1.7722	1.0872	3.8302	2.8927
H9	4.3244	2.7584	3.7332	3.5159	2.4946	2.1412	1.7695	1.7722		1.0896	3.1615	3.6923
C10	4.4452	2.5122	3.8668	3.5642	2.1559	1.5206	1.0881	1.0872	1.0896		2.8333	2.7222
H11	2.4562	1.0838	3.0786	2.1072	3.0744	2.1958	2.6466	3.8302	3.1615	2.8333		2.9850
Cl12	4.6078	2.7046	4.0428	3.7436	2.3471	1.8140	2.9338	2.8927	3.6923	2.7222	2.9850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.562	H1	C4	H3	116.608
C2	C4	H3	121.829	C2	C6	H5	109.883
C2	C6	C10	112.710	C2	C6	Cl12	109.166
C4	C2	C6	123.419	C4	C2	H11	120.893
H5	C6	C10	110.431	H5	C6	Cl12	105.246
C6	C2	H11	115.673	C6	C10	H7	110.468
C6	C10	H8	110.844	C6	C10	H9	109.116
H7	C10	H8	108.677	H7	C10	H9	108.696
H8	C10	H9	108.998	C10	C6	Cl12	109.125

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)

using model chemistry: MP3/6-31+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 CH2CHCHClCH3 (1-Butene, 3-chloro-)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)