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	hartrees
Energy at 0K	-1029.437626
Energy at 298.15K	-1029.438850
HF Energy	-1028.846278
Nuclear repulsion energy	238.026892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3489	3489	45.97
2	A'	3195	3195	0.53
3	A'	2276	2276	17.84
4	A'	1343	1343	13.92
5	A'	990	990	51.22
6	A'	720	720	61.01
7	A'	700	700	7.92
8	A'	462	462	3.80
9	A'	279	279	0.20
10	A'	223	223	3.88
11	A"	1280	1280	18.56
12	A"	746	746	186.13
13	A"	700	700	4.83
14	A"	474	474	0.70
15	A"	152	152	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.667	2.010	0.000
C2	-0.756	1.219	0.000
C3	0.392	0.313	0.000
Cl4	0.392	-0.729	1.483
Cl5	0.392	-0.729	-1.483
H6	-2.490	2.686	0.000
H7	1.333	0.859	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2066	2.6684	3.7346	3.7346	1.0649	3.2133
C2	1.2066		1.4625	2.7048	2.7048	2.2713	2.1198
C3	2.6684	1.4625		1.8133	1.8133	3.7333	1.0876
Cl4	3.7346	2.7048	1.8133		2.9669	4.7090	2.3685
Cl5	3.7346	2.7048	1.8133	2.9669		4.7090	2.3685
H6	1.0649	2.2713	3.7333	4.7090	4.7090		4.2369
H7	3.2133	2.1198	1.0876	2.3685	2.3685	4.2369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.297	C2	C1	H6	178.469
C2	C3	Cl4	110.862	C2	C3	Cl5	110.862
C2	C3	H7	111.613	Cl4	C3	Cl5	109.783
Cl4	C3	H7	106.780	Cl5	C3	H7	106.780

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

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

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