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	hartrees
Energy at 0K	-1022.651396
Energy at 298.15K	-1022.652454
HF Energy	-1022.422739
Nuclear repulsion energy	233.523599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3723	3246	115.06
2	A'	3417	2979	1.26
3	A'	2254	1965	55.76
4	A'	1380	1203	35.71
5	A'	1059	924	52.37
6	A'	776	677	27.58
7	A'	754	657	2.20
8	A'	487	424	3.59
9	A'	273	238	1.55
10	A'	212	185	3.05
11	A"	1326	1156	25.88
12	A"	936	816	78.89
13	A"	752	656	9.71
14	A"	496	432	0.98
15	A"	150	130	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	1.517
Cl5	0.402	-0.738	-1.517
H6	-2.559	2.702	0.000
H7	1.371	0.868	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2233	2.7203	3.7938	3.7938	1.0828	3.2969
C2	1.2233		1.4970	2.7606	2.7606	2.3062	2.1705
C3	2.7203	1.4970		1.8458	1.8458	3.8032	1.1161
Cl4	3.7938	2.7606	1.8458		3.0332	4.7847	2.4119
Cl5	3.7938	2.7606	1.8458	3.0332		4.7847	2.4119
H6	1.0828	2.3062	3.8032	4.7847	4.7847		4.3367
H7	3.2969	2.1705	1.1161	2.4119	2.4119	4.3367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.974	C2	C1	H6	179.705
C2	C3	Cl4	110.915	C2	C3	Cl5	110.915
C2	C3	H7	111.495	Cl4	C3	Cl5	110.501
Cl4	C3	H7	106.417	Cl5	C3	H7	106.417

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

using model chemistry: MP2/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/STO-3G

States and conformations

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