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	hartrees
Energy at 0K	-1029.414741
Energy at 298.15K	-1029.415860
HF Energy	-1028.844509
Nuclear repulsion energy	237.747702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3483	3302	49.67
2	A'	3191	3026	0.59
3	A'	2148	2036	24.10
4	A'	1341	1272	16.15
5	A'	981	930	56.94
6	A'	707	670	57.49
7	A'	672	638	13.76
8	A'	452	428	3.47
9	A'	277	262	0.20
10	A'	215	203	3.71
11	A"	1281	1215	19.41
12	A"	733	695	199.04
13	A"	653	619	5.57
14	A"	455	431	0.20
15	A"	142	134	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.664	2.030	0.000
C2	-0.752	1.218	0.000
C3	0.391	0.313	0.000
Cl4	0.391	-0.733	1.483
Cl5	0.391	-0.733	-1.483
H6	-2.484	2.709	0.000
H7	1.337	0.851	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2209	2.6779	3.7487	3.7487	1.0648	3.2242
C2	1.2209		1.4581	2.7037	2.7037	2.2853	2.1211
C3	2.6779	1.4581		1.8141	1.8141	3.7427	1.0882
Cl4	3.7487	2.7037	1.8141		2.9651	4.7233	2.3666
Cl5	3.7487	2.7037	1.8141	2.9651		4.7233	2.3666
H6	1.0648	2.2853	3.7427	4.7233	4.7233		4.2487
H7	3.2242	2.1211	1.0882	2.3666	2.3666	4.2487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.692	C2	C1	H6	177.961
C2	C3	Cl4	110.961	C2	C3	Cl5	110.961
C2	C3	H7	111.993	Cl4	C3	Cl5	109.616
Cl4	C3	H7	106.559	Cl5	C3	H7	106.559

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

using model chemistry: MP2=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: MP2=FULL/3-21G*

States and conformations

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