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	hartrees
Energy at 0K	-1033.939560
Energy at 298.15K	-1033.940496
HF Energy	-1033.556310
Nuclear repulsion energy	232.250091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3488	3488	42.99
2	A'	3222	3222	0.28
3	A'	2255	2255	26.67
4	A'	1307	1307	26.47
5	A'	1032	1032	55.38
6	A'	686	686	76.93
7	A'	640	640	3.63
8	A'	424	424	4.31
9	A'	256	256	0.22
10	A'	200	200	3.45
11	A"	1243	1243	24.30
12	A"	707	707	196.18
13	A"	619	619	0.29
14	A"	416	416	0.37
15	A"	127	127	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.639	2.079	0.000
C2	-0.742	1.255	0.000
C3	0.385	0.337	0.000
Cl4	0.385	-0.754	1.536
Cl5	0.385	-0.754	-1.536
H6	-2.457	2.768	0.000
H7	1.351	0.837	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2171	2.6697	3.8050	3.8050	1.0698	3.2370
C2	1.2171		1.4538	2.7690	2.7690	2.2864	2.1345
C3	2.6697	1.4538		1.8842	1.8842	3.7395	1.0878
Cl4	3.8050	2.7690	1.8842		3.0726	4.7789	2.4135
Cl5	3.8050	2.7690	1.8842	3.0726		4.7789	2.4135
H6	1.0698	2.2864	3.7395	4.7789	4.7789		4.2693
H7	3.2370	2.1345	1.0878	2.4135	2.4135	4.2693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.600	C2	C1	H6	177.521
C2	C3	Cl4	111.451	C2	C3	Cl5	111.451
C2	C3	H7	113.458	Cl4	C3	Cl5	109.241
Cl4	C3	H7	105.438	Cl5	C3	H7	105.438

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

using model chemistry: MP3=FULL/6-31G

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/6-31G

States and conformations

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