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	hartrees
Energy at 0K	-1029.385860
Energy at 298.15K	-1029.386970
HF Energy	-1028.844462
Nuclear repulsion energy	237.679797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3483	3314	49.65
2	A'	3191	3036	0.59
3	A'	2147	2042	24.18
4	A'	1341	1276	16.18
5	A'	980	932	57.22
6	A'	707	672	56.89
7	A'	669	637	14.54
8	A'	451	429	3.47
9	A'	276	263	0.21
10	A'	213	202	3.67
11	A"	1283	1220	19.44
12	A"	732	696	199.78
13	A"	651	619	5.35
14	A"	453	431	0.20
15	A"	141	134	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.665	2.030	0.000
C2	-0.752	1.218	0.000
C3	0.391	0.312	0.000
Cl4	0.391	-0.733	1.483
Cl5	0.391	-0.733	-1.483
H6	-2.484	2.709	0.000
H7	1.337	0.850	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2211	2.6786	3.7493	3.7493	1.0648	3.2252
C2	1.2211		1.4586	2.7045	2.7045	2.2856	2.1213
C3	2.6786	1.4586		1.8145	1.8145	3.7435	1.0883
Cl4	3.7493	2.7045	1.8145		2.9666	4.7240	2.3667
Cl5	3.7493	2.7045	1.8145	2.9666		4.7240	2.3667
H6	1.0648	2.2856	3.7435	4.7240	4.7240		4.2498
H7	3.2252	2.1213	1.0883	2.3667	2.3667	4.2498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.773	C2	C1	H6	178.011
C2	C3	Cl4	110.967	C2	C3	Cl5	110.967
C2	C3	H7	111.973	Cl4	C3	Cl5	109.661
Cl4	C3	H7	106.540	Cl5	C3	H7	106.540

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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