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	hartrees
Energy at 0K	-1034.631217
Energy at 298.15K	-1034.632504
HF Energy	-1033.750194
Nuclear repulsion energy	241.064171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3515	63.15
2	A'	3210	3210	0.82
3	A'	2281	2281	9.55
4	A'	1309	1309	26.36
5	A'	1026	1026	41.31
6	A'	734	734	45.68
7	A'	712	712	14.01
8	A'	473	473	4.32
9	A'	279	279	0.31
10	A'	216	216	2.89
11	A"	1255	1255	18.86
12	A"	803	803	147.62
13	A"	720	720	23.69
14	A"	480	480	1.17
15	A"	154	154	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.661	1.977	0.000
C2	-0.744	1.206	0.000
C3	0.389	0.295	0.000
Cl4	0.389	-0.716	1.466
Cl5	0.389	-0.716	-1.466
H6	-2.478	2.653	0.000
H7	1.324	0.837	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.1983	2.6520	3.6889	3.6889	1.0609	3.1946
C2	1.1983		1.4539	2.6698	2.6698	2.2592	2.0999
C3	2.6520	1.4539		1.7809	1.7809	3.7129	1.0803
Cl4	3.6889	2.6698	1.7809		2.9317	4.6613	2.3315
Cl5	3.6889	2.6698	1.7809	2.9317		4.6613	2.3315
H6	1.0609	2.2592	3.7129	4.6613	4.6613		4.2134
H7	3.1946	2.0999	1.0803	2.3315	2.3315	4.2134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.725	C2	C1	H6	179.499
C2	C3	Cl4	110.845	C2	C3	Cl5	110.845
C2	C3	H7	111.057	Cl4	C3	Cl5	110.794
Cl4	C3	H7	106.569	Cl5	C3	H7	106.569

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

using model chemistry: MP3/Def2TZVPP

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/Def2TZVPP

States and conformations

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