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	hartrees
Energy at 0K	-615.761055
Energy at 298.15K
HF Energy	-615.019903
Nuclear repulsion energy	212.621675

Atom	x (Å)	y (Å)	z (Å)
C1	2.108	-1.115	0.000
H2	2.452	-2.147	0.000
H3	2.514	-0.624	0.883
H4	2.514	-0.624	-0.883
C5	0.583	-1.079	0.000
H6	0.196	-1.609	-0.872
H7	0.196	-1.609	0.872
C8	0.662	1.463	0.000
H9	1.741	1.474	0.000
C10	0.000	0.307	0.000
Cl11	-1.758	0.310	0.000
H12	0.152	2.412	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0882	1.0886	1.0886	1.5250	2.1584	2.1584	2.9555	2.6154	2.5428	4.1205	4.0334
H2	1.0882		1.7619	1.7619	2.1528	2.4780	2.4780	4.0295	3.6910	3.4696	4.8753	5.1071
H3	1.0886	1.7619		1.7651	2.1710	3.0693	2.5182	2.9257	2.4037	2.8221	4.4611	3.9464
H4	1.0886	1.7619	1.7651		2.1710	2.5182	3.0693	2.9257	2.4037	2.8221	4.4611	3.9464
C5	1.5250	2.1528	2.1710	2.1710		1.0914	1.0914	2.5429	2.8038	1.5037	2.7227	3.5178
H6	2.1584	2.4780	3.0693	2.5182	1.0914		1.7444	3.2267	3.5573	2.1141	2.8747	4.1147
H7	2.1584	2.4780	2.5182	3.0693	1.0914	1.7444		3.2267	3.5573	2.1141	2.8747	4.1147
C8	2.9555	4.0295	2.9257	2.9257	2.5429	3.2267	3.2267		1.0792	1.3320	2.6807	1.0780
H9	2.6154	3.6910	2.4037	2.4037	2.8038	3.5573	3.5573	1.0792		2.0965	3.6880	1.8455
C10	2.5428	3.4696	2.8221	2.8221	1.5037	2.1141	2.1141	1.3320	2.0965		1.7581	2.1107
Cl11	4.1205	4.8753	4.4611	4.4611	2.7227	2.8747	2.8747	2.6807	3.6880	1.7581		2.8401
H12	4.0334	5.1071	3.9464	3.9464	3.5178	4.1147	4.1147	1.0780	1.8455	2.1107	2.8401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.060	C1	C5	H7	110.060
C1	C5	C10	114.183	H2	C1	H3	108.073
H2	C1	H4	108.073	H2	C1	C5	109.807
H3	C1	H4	108.323	H3	C1	C5	111.227
H4	C1	C5	111.227	C5	C10	C8	127.357
C5	C10	Cl11	112.939	H6	C5	H7	106.101
H6	C5	C10	108.048	H7	C5	C10	108.048
C8	C10	Cl11	119.704	H9	C8	C10	120.445
H9	C8	H12	117.627	C10	C8	H12	121.928

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-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 CH2CClCH2CH3 (1-Butene, 2-chloro-)

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

States and conformations

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-chloro-)