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	hartrees
Energy at 0K	-1034.641396
Energy at 298.15K	-1034.642678
HF Energy	-1033.761888
Nuclear repulsion energy	240.764217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3521	3326	64.25
2	A'	3209	3031	0.79
3	A'	2281	2155	11.27
4	A'	1311	1239	26.72
5	A'	1027	970	42.30
6	A'	734	693	37.28
7	A'	696	657	20.84
8	A'	473	446	4.11
9	A'	278	263	0.28
10	A'	214	202	2.78
11	A"	1255	1185	18.69
12	A"	804	759	147.81
13	A"	703	664	23.11
14	A"	480	453	0.81
15	A"	155	146	0.98

Atom	x (Å)	y (Å)	z (Å)
C1	-1.661	1.978	0.000
C2	-0.744	1.208	0.000
C3	0.390	0.297	0.000
Cl4	0.390	-0.717	1.469
Cl5	0.390	-0.717	-1.469
H6	-2.479	2.652	0.000
H7	1.325	0.838	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.1980	2.6515	3.6913	3.6913	1.0600	3.1956
C2	1.1980		1.4537	2.6731	2.6731	2.2579	2.1008
C3	2.6515	1.4537		1.7848	1.7848	3.7115	1.0803
Cl4	3.6913	2.6731	1.7848		2.9372	4.6625	2.3346
Cl5	3.6913	2.6731	1.7848	2.9372		4.6625	2.3346
H6	1.0600	2.2579	3.7115	4.6625	4.6625		4.2138
H7	3.1956	2.1008	1.0803	2.3346	2.3346	4.2138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.750	C2	C1	H6	179.470
C2	C3	Cl4	110.852	C2	C3	Cl5	110.852
C2	C3	H7	111.151	Cl4	C3	Cl5	110.743
Cl4	C3	H7	106.539	Cl5	C3	H7	106.539

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

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

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