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	hartrees
Energy at 0K	-1034.362493
Energy at 298.15K	-1034.363720
HF Energy	-1033.647090
Nuclear repulsion energy	240.503005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3565	3565	56.06
2	A'	3254	3254	1.13
3	A'	2310	2310	17.18
4	A'	1338	1338	32.23
5	A'	1042	1042	45.60
6	A'	744	744	37.93
7	A'	659	659	23.36
8	A'	466	466	3.24
9	A'	287	287	0.39
10	A'	216	216	2.33
11	A"	1307	1307	27.85
12	A"	822	822	159.73
13	A"	660	660	19.43
14	A"	464	464	0.47
15	A"	152	152	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-1.633	2.018	0.000
C2	-0.740	1.211	0.000
C3	0.384	0.287	0.000
Cl4	0.384	-0.724	1.469
Cl5	0.384	-0.724	-1.469
H6	-2.440	2.706	0.000
H7	1.321	0.828	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2035	2.6580	3.7076	3.7076	1.0610	3.1842
C2	1.2035		1.4552	2.6770	2.6770	2.2643	2.0960
C3	2.6580	1.4552		1.7832	1.7832	3.7190	1.0817
Cl4	3.7076	2.6770	1.7832		2.9378	4.6801	2.3332
Cl5	3.7076	2.6770	1.7832	2.9378		4.6801	2.3332
H6	1.0610	2.2643	3.7190	4.6801	4.6801		4.2040
H7	3.1842	2.0960	1.0817	2.3332	2.3332	4.2040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.293	C2	C1	H6	178.279
C2	C3	Cl4	111.107	C2	C3	Cl5	111.107
C2	C3	H7	110.559	Cl4	C3	Cl5	110.922
Cl4	C3	H7	106.473	Cl5	C3	H7	106.473

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)