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	hartrees
Energy at 0K	-1022.652782
Energy at 298.15K	-1022.653841
HF Energy	-1022.422782
Nuclear repulsion energy	233.547796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3724	3310	114.97
2	A'	3418	3038	1.26
3	A'	2254	2004	55.71
4	A'	1380	1227	35.69
5	A'	1060	942	52.30
6	A'	776	690	27.51
7	A'	754	670	2.23
8	A'	487	433	3.59
9	A'	273	242	1.55
10	A'	212	189	3.04
11	A"	1326	1179	25.86
12	A"	937	833	78.87
13	A"	752	669	9.71
14	A"	496	441	0.97
15	A"	150	133	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.718	2.019	0.000
C2	-0.765	1.252	0.000
C3	0.402	0.314	0.000
Cl4	0.402	-0.738	1.516
Cl5	0.402	-0.738	-1.516
H6	-2.558	2.702	0.000
H7	1.371	0.868	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2232	2.7200	3.7934	3.7934	1.0828	3.2964
C2	1.2232		1.4968	2.7602	2.7602	2.3060	2.1701
C3	2.7200	1.4968		1.8456	1.8456	3.8028	1.1160
Cl4	3.7934	2.7602	1.8456		3.0329	4.7843	2.4116
Cl5	3.7934	2.7602	1.8456	3.0329		4.7843	2.4116
H6	1.0828	2.3060	3.8028	4.7843	4.7843		4.3361
H7	3.2964	2.1701	1.1160	2.4116	2.4116	4.3361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.974	C2	C1	H6	179.705
C2	C3	Cl4	110.918	C2	C3	Cl5	110.918
C2	C3	H7	111.487	Cl4	C3	Cl5	110.507
Cl4	C3	H7	106.416	Cl5	C3	H7	106.416

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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