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	hartrees
Energy at 0K	-1029.017254
Energy at 298.15K	-1029.018282
HF Energy	-1028.632486
Nuclear repulsion energy	231.915568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3482	3325	50.70
2	A'	3234	3088	0.47
3	A'	2150	2053	37.08
4	A'	1316	1257	22.25
5	A'	1006	961	66.05
6	A'	694	663	54.86
7	A'	652	622	19.22
8	A'	430	411	4.59
9	A'	252	240	0.16
10	A'	213	203	4.16
11	A"	1208	1153	25.36
12	A"	717	685	189.33
13	A"	651	622	6.55
14	A"	439	419	0.01
15	A"	138	132	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.664	2.051	0.000
C2	-0.747	1.244	0.000
C3	0.390	0.358	0.000
Cl4	0.390	-0.750	1.540
Cl5	0.390	-0.750	-1.540
H6	-2.490	2.724	0.000
H7	1.351	0.862	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2213	2.6621	3.7998	3.7998	1.0649	3.2414
C2	1.2213		1.4419	2.7646	2.7646	2.2858	2.1329
C3	2.6621	1.4419		1.8972	1.8972	3.7270	1.0852
Cl4	3.7998	2.7646	1.8972		3.0793	4.7679	2.4279
Cl5	3.7998	2.7646	1.8972	3.0793		4.7679	2.4279
H6	1.0649	2.2858	3.7270	4.7679	4.7679		4.2683
H7	3.2414	2.1329	1.0852	2.4279	2.4279	4.2683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.603	C2	C1	H6	177.858
C2	C3	Cl4	111.044	C2	C3	Cl5	111.044
C2	C3	H7	114.390	Cl4	C3	Cl5	108.497
Cl4	C3	H7	105.752	Cl5	C3	H7	105.752

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

using model chemistry: MP2=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: MP2=FULL/3-21G

States and conformations

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