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	hartrees
Energy at 0K	-1029.022409
Energy at 298.15K	-1029.023814
HF Energy	-1028.630428
Nuclear repulsion energy	209.920311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3157	3.29
2	A'	2419	2419	39.78
3	A'	1553	1553	1.80
4	A'	1320	1320	36.28
5	A'	1078	1078	12.12
6	A'	718	718	27.74
7	A'	607	607	30.95
8	A'	520	520	5.08
9	A'	314	314	0.92
10	A'	98	98	1.32
11	A"	3218	3218	0.10
12	A"	1254	1254	0.02
13	A"	907	907	1.10
14	A"	561	561	0.07
15	A"	198	198	6.69

Atom	x (Å)	y (Å)	z (Å)
C1	1.162	0.228	0.000
C2	0.000	0.539	0.000
C3	-1.395	0.963	0.000
Cl4	2.838	-0.230	0.000
Cl5	-2.560	-0.559	0.000
H6	-1.659	1.518	0.899
H7	-1.659	1.518	-0.899

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2028	2.6602	1.7372	3.8040	3.2296	3.2296
C2	1.2028		1.4578	2.9400	2.7854	2.1258	2.1258
C3	2.6602	1.4578		4.3973	1.9162	1.0894	1.0894
Cl4	1.7372	2.9400	4.3973		5.4076	4.9075	4.9075
Cl5	3.8040	2.7854	1.9162	5.4076		2.4355	2.4355
H6	3.2296	2.1258	1.0894	4.9075	2.4355		1.7987
H7	3.2296	2.1258	1.0894	4.9075	2.4355	1.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.104	C2	C1	Cl4	179.708
C2	C3	Cl5	110.558	C2	C3	H6	112.341
C2	C3	H7	112.341	Cl5	C3	H6	104.894
Cl5	C3	H7	104.894	H6	C3	H7	111.292

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

using model chemistry: MP3=FULL/3-21G

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=FULL/3-21G

States and conformations

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