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	hartrees
Energy at 0K	-1034.468176
Energy at 298.15K	-1034.469315
HF Energy	-1033.665077
Nuclear repulsion energy	240.969963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3337	73.85
2	A'	3188	3011	0.74
3	A'	2163	2043	26.31
4	A'	1292	1221	28.75
5	A'	1026	969	46.59
6	A'	732	691	31.33
7	A'	622	587	26.44
8	A'	463	437	3.72
9	A'	276	261	0.33
10	A'	202	191	2.01
11	A"	1244	1175	20.69
12	A"	799	755	157.42
13	A"	628	594	22.46
14	A"	467	441	0.03
15	A"	149	140	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	-1.678	1.969	0.000
C2	-0.741	1.197	0.000
C3	0.392	0.302	0.000
Cl4	0.392	-0.714	1.464
Cl5	0.392	-0.714	-1.464
H6	-2.504	2.637	0.000
H7	1.337	0.841	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2143	2.6577	3.6919	3.6919	1.0621	3.2189
C2	1.2143		1.4436	2.6608	2.6608	2.2764	2.1080
C3	2.6577	1.4436		1.7826	1.7826	3.7199	1.0879
Cl4	3.6919	2.6608	1.7826		2.9289	4.6648	2.3361
Cl5	3.6919	2.6608	1.7826	2.9289		4.6648	2.3361
H6	1.0621	2.2764	3.7199	4.6648	4.6648		4.2399
H7	3.2189	2.1080	1.0879	2.3361	2.3361	4.2399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.793	C2	C1	H6	179.433
C2	C3	Cl4	110.692	C2	C3	Cl5	110.692
C2	C3	H7	111.997	Cl4	C3	Cl5	110.473
Cl4	C3	H7	106.414	Cl5	C3	H7	106.414

All results from a given calculation for CHCl₂CCH (3,3-dichloropropyne)

using model chemistry: MP2/6-31G(2df,p)

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 CHCl2CCH (3,3-dichloropropyne)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CHCl₂CCH (3,3-dichloropropyne)