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	hartrees
Energy at 0K	-1029.027426
Energy at 298.15K	-1029.028563
HF Energy	-1028.634388
Nuclear repulsion energy	232.527416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3488	3488	46.35
2	A'	3237	3237	0.33
3	A'	2275	2275	27.98
4	A'	1317	1317	19.43
5	A'	1014	1014	58.95
6	A'	731	731	41.78
7	A'	661	661	30.86
8	A'	441	441	4.38
9	A'	256	256	0.31
10	A'	219	219	4.30
11	A"	1206	1206	25.13
12	A"	731	731	176.31
13	A"	700	700	6.44
14	A"	457	457	0.16
15	A"	148	148	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.666	2.031	0.000
C2	-0.754	1.240	0.000
C3	0.392	0.357	0.000
Cl4	0.392	-0.745	1.538
Cl5	0.392	-0.745	-1.538
H6	-2.494	2.701	0.000
H7	1.345	0.875	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2072	2.6524	3.7825	3.7825	1.0649	3.2252
C2	1.2072		1.4463	2.7600	2.7600	2.2718	2.1308
C3	2.6524	1.4463		1.8922	1.8922	3.7173	1.0848
Cl4	3.7825	2.7600	1.8922		3.0750	4.7505	2.4288
Cl5	3.7825	2.7600	1.8922	3.0750		4.7505	2.4288
H6	1.0649	2.2718	3.7173	4.7505	4.7505		4.2509
H7	3.2252	2.1308	1.0848	2.4288	2.4288	4.2509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.605	C2	C1	H6	177.990
C2	C3	Cl4	110.822	C2	C3	Cl5	110.822
C2	C3	H7	113.913	Cl4	C3	Cl5	108.695
Cl4	C3	H7	106.153	Cl5	C3	H7	106.153

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

using model chemistry: MP3=FULL/3-21G

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=FULL/3-21G

States and conformations

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