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	hartrees
Energy at 0K	-1034.476495
Energy at 298.15K	-1034.477615
HF Energy	-1033.718979
Nuclear repulsion energy	239.285485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3471	3366
2	A'	3147	3051
3	A'	2121	2057
4	A'	1283	1245
5	A'	1009	979
6	A'	722	700
7	A'	664	644
8	A'	446	432
9	A'	284	276
10	A'	207	201
11	A"	1281	1242
12	A"	783	759
13	A"	651	632
14	A"	427	414
15	A"	135	131

Atom	x (Å)	y (Å)	z (Å)
C1	-1.635	2.038	0.000
C2	-0.748	1.202	0.000
C3	0.385	0.287	0.000
Cl4	0.385	-0.727	1.477
Cl5	0.385	-0.727	-1.477
H6	-2.445	2.733	0.000
H7	1.325	0.841	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2197	2.6738	3.7299	3.7299	1.0677	3.1926
C2	1.2197		1.4561	2.6806	2.6806	2.2868	2.1033
C3	2.6738	1.4561		1.7917	1.7917	3.7416	1.0907
Cl4	3.7299	2.6806	1.7917		2.9539	4.7088	2.3505
Cl5	3.7299	2.6806	1.7917	2.9539		4.7088	2.3505
H6	1.0677	2.2868	3.7416	4.7088	4.7088		4.2183
H7	3.1926	2.1033	1.0907	2.3505	2.3505	4.2183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.612	C2	C1	H6	177.333
C2	C3	Cl4	110.831	C2	C3	Cl5	110.831
C2	C3	H7	110.531	Cl4	C3	Cl5	111.041
Cl4	C3	H7	106.726	Cl5	C3	H7	106.726

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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