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	hartrees
Energy at 0K	-47.174497
Energy at 298.15K	-47.175452
HF Energy	-46.817587
Nuclear repulsion energy	65.984256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3067	2993	17.80
2	A'	2180	2128	50.30
3	A'	1496	1460	1.67
4	A'	1336	1304	50.74
5	A'	1082	1056	9.37
6	A'	691	674	33.63
7	A'	601	587	34.28
8	A'	458	447	3.64
9	A'	288	281	1.79
10	A'	94	91	1.52
11	A"	3159	3083	4.37
12	A"	1201	1172	1.32
13	A"	941	918	0.04
14	A"	239	234	1.15
15	A"	162	158	7.49

Atom	x (Å)	y (Å)	z (Å)
C1	1.222	0.260	0.000
C2	0.000	0.480	0.000
C3	-1.399	0.962	0.000
Cl4	2.878	-0.275	0.000
Cl5	-2.623	-0.505	0.000
H6	-1.637	1.530	0.906
H7	-1.637	1.530	-0.906

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2420	2.7134	1.7395	3.9207	3.2578	3.2578
C2	1.2420		1.4794	2.9750	2.8017	2.1461	2.1461
C3	2.7134	1.4794		4.4516	1.9110	1.0958	1.0958
Cl4	1.7395	2.9750	4.4516		5.5054	4.9463	4.9463
Cl5	3.9207	2.8017	1.9110	5.5054		2.4364	2.4364
H6	3.2578	2.1461	1.0958	4.9463	2.4364		1.8117
H7	3.2578	2.1461	1.0958	4.9463	2.4364	1.8117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	171.169	C2	C1	Cl4	172.292
C2	C3	Cl5	110.814	C2	C3	H6	112.034
C2	C3	H7	112.034	Cl5	C3	H6	104.990
Cl5	C3	H7	104.990	H6	C3	H7	111.520

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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