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	hartrees
Energy at 0K	-1034.979611
Energy at 298.15K	-1034.980766
HF Energy	-1033.749548
Nuclear repulsion energy	217.472764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3124	6.88
2	A'	2256	2256	72.95
3	A'	1491	1491	1.67
4	A'	1308	1308	45.63
5	A'	1141	1141	0.49
6	A'	759	759	55.03
7	A'	636	636	21.74
8	A'	439	439	0.15
9	A'	291	291	1.19
10	A'	93	93	1.08
11	A"	3182	3182	0.00
12	A"	1220	1220	0.46
13	A"	928	928	0.20
14	A"	363	363	0.19
15	A"	182	182	7.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.172	0.203	0.000
C2	0.000	0.521	0.000
C3	-1.395	0.906	0.000
Cl4	2.742	-0.229	0.000
Cl5	-2.471	-0.521	0.000
H6	-1.640	1.485	0.883
H7	-1.640	1.485	-0.883

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2141	2.6608	1.6290	3.7140	3.2137	3.2137
C2	1.2141		1.4468	2.8431	2.6814	2.0973	2.0973
C3	2.6608	1.4468		4.2899	1.7869	1.0843	1.0843
Cl4	1.6290	2.8431	4.2899		5.2215	4.7876	4.7876
Cl5	3.7140	2.6814	1.7869	5.2215		2.3435	2.3435
H6	3.2137	2.0973	1.0843	4.7876	2.3435		1.7668
H7	3.2137	2.0973	1.0843	4.7876	2.3435	1.7668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.724	C2	C1	Cl4	179.771
C2	C3	Cl5	111.603	C2	C3	H6	111.105
C2	C3	H7	111.105	Cl5	C3	H6	106.854
Cl5	C3	H7	106.854	H6	C3	H7	109.128

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

using model chemistry: MP2=FULL/Def2TZVPP

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: MP2=FULL/Def2TZVPP

States and conformations

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