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	hartrees
Energy at 0K	-1034.547270
Energy at 298.15K	-1034.548426
HF Energy	-1033.715024
Nuclear repulsion energy	240.595999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3490	3305	57.50
2	A'	3180	3012	1.08
3	A'	2147	2034	22.87
4	A'	1310	1241	33.63
5	A'	1032	977	46.68
6	A'	735	696	37.51
7	A'	656	621	25.62
8	A'	459	435	3.51
9	A'	291	276	0.45
10	A'	218	206	3.64
11	A"	1301	1232	22.35
12	A"	803	760	183.89
13	A"	619	586	18.40
14	A"	438	415	0.45
15	A"	139	132	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.625	2.031	0.000
C2	-0.744	1.192	0.000
C3	0.383	0.286	0.000
Cl4	0.383	-0.724	1.468
Cl5	0.383	-0.724	-1.468
H6	-2.438	2.719	0.000
H7	1.321	0.837	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2167	2.6604	3.7115	3.7115	1.0656	3.1786
C2	1.2167		1.4460	2.6635	2.6635	2.2814	2.0951
C3	2.6604	1.4460		1.7816	1.7816	3.7259	1.0882
Cl4	3.7115	2.6635	1.7816		2.9362	4.6871	2.3392
Cl5	3.7115	2.6635	1.7816	2.9362		4.6871	2.3392
H6	1.0656	2.2814	3.7259	4.6871	4.6871		4.2043
H7	3.1786	2.0951	1.0882	2.3392	2.3392	4.2043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.193	C2	C1	H6	176.603
C2	C3	Cl4	110.795	C2	C3	Cl5	110.795
C2	C3	H7	110.744	Cl4	C3	Cl5	110.976
Cl4	C3	H7	106.688	Cl5	C3	H7	106.688

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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