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	hartrees
Energy at 0K	-1034.698537
Energy at 298.15K	-1034.699712
HF Energy	-1033.775970
Nuclear repulsion energy	241.567824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3485	3309	67.36
2	A'	3163	3004	1.58
3	A'	2139	2031	15.05
4	A'	1287	1223	26.59
5	A'	1020	968	43.69
6	A'	728	691	28.51
7	A'	662	629	26.63
8	A'	465	442	4.04
9	A'	275	261	0.33
10	A'	202	191	2.72
11	A"	1234	1172	16.87
12	A"	791	752	149.32
13	A"	662	629	23.08
14	A"	464	441	0.60
15	A"	146	139	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.680	1.961	0.000
C2	-0.740	1.196	0.000
C3	0.392	0.301	0.000
Cl4	0.392	-0.712	1.460
Cl5	0.392	-0.712	-1.460
H6	-2.508	2.626	0.000
H7	1.332	0.842	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2118	2.6553	3.6836	3.6836	1.0618	3.2132
C2	1.2118		1.4435	2.6557	2.6557	2.2737	2.1023
C3	2.6553	1.4435		1.7767	1.7767	3.7171	1.0844
Cl4	3.6836	2.6557	1.7767		2.9195	4.6565	2.3300
Cl5	3.6836	2.6557	1.7767	2.9195		4.6565	2.3300
H6	1.0618	2.2737	3.7171	4.6565	4.6565		4.2339
H7	3.2132	2.1023	1.0844	2.3300	2.3300	4.2339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.162	C2	C1	H6	179.665
C2	C3	Cl4	110.693	C2	C3	Cl5	110.693
C2	C3	H7	111.752	Cl4	C3	Cl5	110.491
Cl4	C3	H7	106.531	Cl5	C3	H7	106.531

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

using model chemistry: MP2/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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