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	hartrees
Energy at 0K	-1034.386908
Energy at 298.15K	-1034.388170
HF Energy	-1033.695462
Nuclear repulsion energy	238.779655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3510	3327	63.44
2	A'	3204	3037	0.66
3	A'	2272	2153	15.50
4	A'	1300	1232	33.97
5	A'	1027	973	44.97
6	A'	730	692	39.85
7	A'	689	653	14.84
8	A'	468	444	3.99
9	A'	281	266	0.28
10	A'	218	207	2.92
11	A"	1248	1183	21.38
12	A"	804	762	152.39
13	A"	691	655	17.72
14	A"	475	450	0.79
15	A"	153	145	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	-1.662	2.019	0.000
C2	-0.750	1.214	0.000
C3	0.390	0.293	0.000
Cl4	0.390	-0.727	1.478
Cl5	0.390	-0.727	-1.478
H6	-2.483	2.714	0.000
H7	1.337	0.845	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2158	2.6813	3.7327	3.7327	1.0758	3.2207
C2	1.2158		1.4662	2.6930	2.6930	2.2914	2.1200
C3	2.6813	1.4662		1.7955	1.7955	3.7571	1.0960
Cl4	3.7327	2.6930	1.7955		2.9554	4.7199	2.3560
Cl5	3.7327	2.6930	1.7955	2.9554		4.7199	2.3560
H6	1.0758	2.2914	3.7571	4.7199	4.7199		4.2528
H7	3.2207	2.1200	1.0960	2.3560	2.3560	4.2528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.496	C2	C1	H6	178.831
C2	C3	Cl4	110.907	C2	C3	Cl5	110.907
C2	C3	H7	110.843	Cl4	C3	Cl5	110.772
Cl4	C3	H7	106.623	Cl5	C3	H7	106.623

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

using model chemistry: MP3/cc-pVDZ

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/cc-pVDZ

States and conformations

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