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	hartrees
Energy at 0K	-1034.560887
Energy at 298.15K	-1034.561930
HF Energy	-1033.718234
Nuclear repulsion energy	216.276716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	2972	11.53
2	A'	2273	2156	80.68
3	A'	1485	1409	0.85
4	A'	1354	1284	59.08
5	A'	1152	1093	0.14
6	A'	769	729	60.51
7	A'	644	611	21.27
8	A'	409	388	0.00
9	A'	289	274	1.50
10	A'	99	94	1.25
11	A"	3193	3029	1.07
12	A"	1239	1176	1.58
13	A"	940	892	0.38
14	A"	267	254	0.02
15	A"	180	170	7.73

Atom	x (Å)	y (Å)	z (Å)
C1	1.189	0.206	0.000
C2	0.000	0.465	0.000
C3	-1.387	0.888	0.000
Cl4	2.772	-0.220	0.000
Cl5	-2.512	-0.505	0.000
H6	-1.609	1.479	0.889
H7	-1.609	1.479	-0.889

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2168	2.6647	1.6389	3.7690	3.1995	3.1995
C2	1.2168		1.4501	2.8548	2.6929	2.0992	2.0992
C3	2.6647	1.4501		4.3035	1.7905	1.0903	1.0903
Cl4	1.6389	2.8548	4.3035		5.2916	4.7814	4.7814
Cl5	3.7690	2.6929	1.7905	5.2916		2.3539	2.3539
H6	3.1995	2.0992	1.0903	4.7814	2.3539		1.7784
H7	3.1995	2.0992	1.0903	4.7814	2.3539	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.299	C2	C1	Cl4	177.206
C2	C3	Cl5	111.974	C2	C3	H6	110.645
C2	C3	H7	110.645	Cl5	C3	H6	107.072
Cl5	C3	H7	107.072	H6	C3	H7	109.287

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

using model chemistry: MP2=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: MP2=FULL/6-311G**

States and conformations

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