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	hartrees
Energy at 0K	-1034.625588
Energy at 298.15K	-1034.626879
HF Energy	-1033.747961
Nuclear repulsion energy	241.302008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3506	3506	64.67
2	A'	3190	3190	1.70
3	A'	2274	2274	9.60
4	A'	1313	1313	25.81
5	A'	1024	1024	39.66
6	A'	736	736	39.09
7	A'	710	710	16.97
8	A'	473	473	3.78
9	A'	282	282	0.31
10	A'	211	211	2.79
11	A"	1259	1259	19.22
12	A"	813	813	143.80
13	A"	716	716	22.96
14	A"	479	479	1.18
15	A"	153	153	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	-1.658	1.979	0.000
C2	-0.743	1.207	0.000
C3	0.389	0.293	0.000
Cl4	0.389	-0.717	1.463
Cl5	0.389	-0.717	-1.463
H6	-2.474	2.659	0.000
H7	1.325	0.838	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.1974	2.6518	3.6877	3.6877	1.0621	3.1937
C2	1.1974		1.4546	2.6687	2.6687	2.2594	2.1005
C3	2.6518	1.4546		1.7777	1.7777	3.7139	1.0830
Cl4	3.6877	2.6687	1.7777		2.9257	4.6618	2.3310
Cl5	3.6877	2.6687	1.7777	2.9257		4.6618	2.3310
H6	1.0621	2.2594	3.7139	4.6618	4.6618		4.2129
H7	3.1937	2.1005	1.0830	2.3310	2.3310	4.2129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.743	C2	C1	H6	179.593
C2	C3	Cl4	110.912	C2	C3	Cl5	110.912
C2	C3	H7	110.888	Cl4	C3	Cl5	110.750
Cl4	C3	H7	106.606	Cl5	C3	H7	106.606

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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