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	hartrees
Energy at 0K	-1034.313488
Energy at 298.15K	-1034.314379
HF Energy	-1033.645559
Nuclear repulsion energy	215.881660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	2966	8.20
2	A'	2432	2282	60.68
3	A'	1534	1440	1.21
4	A'	1367	1283	52.75
5	A'	1145	1075	0.36
6	A'	769	722	54.55
7	A'	642	603	20.28
8	A'	386	362	0.50
9	A'	246	231	0.29
10	A'	94	89	1.14
11	A"	3215	3018	0.95
12	A"	1246	1170	0.41
13	A"	952	894	0.46
14	A"	236	222	0.51
15	A"	181	170	5.52

Atom	x (Å)	y (Å)	z (Å)
C1	1.177	0.230	0.000
C2	0.000	0.483	0.000
C3	-1.408	0.868	0.000
Cl4	2.777	-0.173	0.000
Cl5	-2.502	-0.557	0.000
H6	-1.647	1.455	0.887
H7	-1.647	1.455	-0.887

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2038	2.6626	1.6504	3.7617	3.2032	3.2032
C2	1.2038		1.4598	2.8538	2.7094	2.1078	2.1078
C3	2.6626	1.4598		4.3130	1.7956	1.0905	1.0905
Cl4	1.6504	2.8538	4.3130		5.2932	4.7967	4.7967
Cl5	3.7617	2.7094	1.7956	5.2932		2.3591	2.3591
H6	3.2032	2.1078	1.0905	4.7967	2.3591		1.7747
H7	3.2032	2.1078	1.0905	4.7967	2.3591	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.908	C2	C1	Cl4	178.064
C2	C3	Cl5	112.260	C2	C3	H6	110.649
C2	C3	H7	110.649	Cl5	C3	H6	107.104
Cl5	C3	H7	107.104	H6	C3	H7	108.915

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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