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	hartrees
Energy at 0K	-1034.299254
Energy at 298.15K	-1034.300333
HF Energy	-1033.645001
Nuclear repulsion energy	240.231203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3540	3315	61.48
2	A'	3218	3014	1.13
3	A'	2168	2031	24.95
4	A'	1320	1237	35.68
5	A'	1035	969	50.95
6	A'	739	692	36.22
7	A'	613	574	26.06
8	A'	452	424	3.47
9	A'	284	266	0.53
10	A'	201	188	1.92
11	A"	1299	1216	27.60
12	A"	808	756	170.94
13	A"	604	566	19.03
14	A"	433	406	0.00
15	A"	139	131	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-1.631	2.035	0.000
C2	-0.737	1.205	0.000
C3	0.383	0.286	0.000
Cl4	0.383	-0.727	1.468
Cl5	0.383	-0.727	-1.468
H6	-2.442	2.723	0.000
H7	1.327	0.823	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2200	2.6681	3.7203	3.7203	1.0631	3.1969
C2	1.2200		1.4493	2.6727	2.6727	2.2826	2.0990
C3	2.6681	1.4493		1.7835	1.7835	3.7312	1.0860
Cl4	3.7203	2.6727	1.7835		2.9370	4.6944	2.3341
Cl5	3.7203	2.6727	1.7835	2.9370		4.6944	2.3341
H6	1.0631	2.2826	3.7312	4.6944	4.6944		4.2205
H7	3.1969	2.0990	1.0860	2.3341	2.3341	4.2205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.531	C2	C1	H6	177.498
C2	C3	Cl4	111.106	C2	C3	Cl5	111.106
C2	C3	H7	110.956	Cl4	C3	Cl5	110.844
Cl4	C3	H7	106.310	Cl5	C3	H7	106.310

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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