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	hartrees
Energy at 0K	-1034.408336
Energy at 298.15K	-1034.409530
HF Energy	-1033.719549
Nuclear repulsion energy	240.464712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3503	3329	63.52
2	A'	3180	3022	1.23
3	A'	2143	2036	21.32
4	A'	1296	1231	39.81
5	A'	1027	976	45.68
6	A'	738	701	44.08
7	A'	685	651	13.41
8	A'	456	433	3.60
9	A'	290	276	0.45
10	A'	210	200	3.40
11	A"	1294	1230	25.73
12	A"	804	764	184.88
13	A"	671	637	11.05
14	A"	439	417	1.24
15	A"	138	131	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	-1.630	2.028	0.000
C2	-0.743	1.195	0.000
C3	0.384	0.284	0.000
Cl4	0.384	-0.724	1.469
Cl5	0.384	-0.724	-1.469
H6	-2.437	2.723	0.000
H7	1.321	0.838	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2172	2.6641	3.7132	3.7132	1.0651	3.1822
C2	1.2172		1.4488	2.6661	2.6661	2.2818	2.0948
C3	2.6641	1.4488		1.7816	1.7816	3.7292	1.0882
Cl4	3.7132	2.6661	1.7816		2.9381	4.6902	2.3396
Cl5	3.7132	2.6661	1.7816	2.9381		4.6902	2.3396
H6	1.0651	2.2818	3.7292	4.6902	4.6902		4.2048
H7	3.1822	2.0948	1.0882	2.3396	2.3396	4.2048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.701	C2	C1	H6	177.493
C2	C3	Cl4	110.824	C2	C3	Cl5	110.824
C2	C3	H7	110.514	Cl4	C3	Cl5	111.087
Cl4	C3	H7	106.718	Cl5	C3	H7	106.718

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

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

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: MP2/6-311G**

States and conformations

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