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	hartrees
Energy at 0K	-1034.473770
Energy at 298.15K	-1034.474677
HF Energy	-1033.717463
Nuclear repulsion energy	215.009717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3096	3002
2	A'	2242	2174
3	A'	1478	1433
4	A'	1342	1301
5	A'	1126	1092
6	A'	745	723
7	A'	629	610
8	A'	394	382
9	A'	278	269
10	A'	97	94
11	A"	3153	3057
12	A"	1223	1186
13	A"	933	905
14	A"	216	210
15	A"	173	167

Atom	x (Å)	y (Å)	z (Å)
C1	1.196	0.221	0.000
C2	0.000	0.462	0.000
C3	-1.396	0.888	0.000
Cl4	2.789	-0.214	0.000
Cl5	-2.528	-0.514	0.000
H6	-1.618	1.479	0.893
H7	-1.618	1.479	-0.893

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2204	2.6771	1.6508	3.7960	3.2093	3.2093
C2	1.2204		1.4599	2.8696	2.7098	2.1092	2.1092
C3	2.6771	1.4599		4.3278	1.8018	1.0933	1.0933
Cl4	1.6508	2.8696	4.3278		5.3252	4.8044	4.8044
Cl5	3.7960	2.7098	1.8018	5.3252		2.3662	2.3662
H6	3.2093	2.1092	1.0933	4.8044	2.3662		1.7852
H7	3.2093	2.1092	1.0933	4.8044	2.3662	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	174.424	C2	C1	Cl4	176.119
C2	C3	Cl5	111.933	C2	C3	H6	110.583
C2	C3	H7	110.583	Cl5	C3	H6	107.077
Cl5	C3	H7	107.077	H6	C3	H7	109.454

All results from a given calculation for CH₂ClCCCl (1,3-dichloropropyne)

using model chemistry: MP4/6-311G**

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 CH2ClCCCl (1,3-dichloropropyne)

using model chemistry: MP4/6-311G**

States and conformations

All results from a given calculation for CH₂ClCCCl (1,3-dichloropropyne)