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	hartrees
Energy at 0K	-1034.591215
Energy at 298.15K	-1034.592532
HF Energy	-1033.721609
Nuclear repulsion energy	240.670029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3530	3530	60.08
2	A'	3217	3217	1.19
3	A'	2282	2282	14.31
4	A'	1318	1318	37.52
5	A'	1036	1036	41.36
6	A'	752	752	52.43
7	A'	717	717	3.11
8	A'	466	466	4.00
9	A'	294	294	0.48
10	A'	219	219	3.44
11	A"	1308	1308	26.51
12	A"	823	823	174.84
13	A"	727	727	9.35
14	A"	463	463	2.52
15	A"	151	151	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.630	2.015	0.000
C2	-0.745	1.203	0.000
C3	0.384	0.285	0.000
Cl4	0.384	-0.723	1.469
Cl5	0.384	-0.723	-1.469
H6	-2.436	2.710	0.000
H7	1.316	0.841	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2012	2.6559	3.7031	3.7031	1.0638	3.1717
C2	1.2012		1.4559	2.6725	2.6725	2.2647	2.0930
C3	2.6559	1.4559		1.7812	1.7812	3.7197	1.0850
Cl4	3.7031	2.6725	1.7812		2.9381	4.6792	2.3388
Cl5	3.7031	2.6725	1.7812	2.9381		4.6792	2.3388
H6	1.0638	2.2647	3.7197	4.6792	4.6792		4.1917
H7	3.1717	2.0930	1.0850	2.3388	2.3388	4.1917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.538	C2	C1	H6	178.218
C2	C3	Cl4	110.897	C2	C3	Cl5	110.897
C2	C3	H7	110.068	Cl4	C3	Cl5	111.126
Cl4	C3	H7	106.845	Cl5	C3	H7	106.845

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

using model chemistry: MP3=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: MP3=FULL/6-311G**

States and conformations

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