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	hartrees
Energy at 0K	-1034.573894
Energy at 298.15K	-1034.575022
HF Energy	-1033.717369
Nuclear repulsion energy	216.315228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3143	9.51
2	A'	2413	2413	67.92
3	A'	1510	1510	2.39
4	A'	1369	1369	49.28
5	A'	1147	1147	0.06
6	A'	770	770	57.45
7	A'	648	648	21.00
8	A'	425	425	0.02
9	A'	295	295	1.52
10	A'	101	101	1.25
11	A"	3200	3200	0.98
12	A"	1254	1254	1.70
13	A"	942	942	0.53
14	A"	311	311	0.14
15	A"	187	187	8.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.175	0.227	0.000
C2	0.000	0.473	0.000
C3	-1.404	0.864	0.000
Cl4	2.773	-0.166	0.000
Cl5	-2.500	-0.556	0.000
H6	-1.636	1.449	0.889
H7	-1.636	1.449	-0.889

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2008	2.6566	1.6452	3.7574	3.1919	3.1919
C2	1.2008		1.4572	2.8456	2.7034	2.1021	2.1021
C3	2.6566	1.4572		4.3018	1.7939	1.0889	1.0889
Cl4	1.6452	2.8456	4.3018		5.2871	4.7790	4.7790
Cl5	3.7574	2.7034	1.7939	5.2871		2.3570	2.3570
H6	3.1919	2.1021	1.0889	4.7790	2.3570		1.7771
H7	3.1919	2.1021	1.0889	4.7790	2.3570	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.302	C2	C1	Cl4	178.053
C2	C3	Cl5	112.104	C2	C3	H6	110.473
C2	C3	H7	110.473	Cl5	C3	H6	107.143
Cl5	C3	H7	107.143	H6	C3	H7	109.377

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-311G*

States and conformations

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