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	hartrees
Energy at 0K	-1034.347957
Energy at 298.15K	-1034.349019
HF Energy	-1033.650520
Nuclear repulsion energy	240.429099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3530	3316	62.80
2	A'	3212	3016	0.40
3	A'	2162	2031	17.68
4	A'	1307	1228	33.08
5	A'	1030	968	47.65
6	A'	734	689	37.81
7	A'	622	584	34.03
8	A'	446	419	2.97
9	A'	279	262	0.59
10	A'	193	181	2.46
11	A"	1294	1215	25.49
12	A"	803	754	175.62
13	A"	613	576	26.67
14	A"	437	411	0.12
15	A"	135	127	1.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.636	2.027	0.000
C2	-0.737	1.202	0.000
C3	0.384	0.286	0.000
Cl4	0.384	-0.724	1.468
Cl5	0.384	-0.724	-1.468
H6	-2.447	2.715	0.000
H7	1.324	0.828	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2204	2.6673	3.7157	3.7157	1.0633	3.1943
C2	1.2204		1.4479	2.6687	2.6687	2.2833	2.0951
C3	2.6673	1.4479		1.7817	1.7817	3.7306	1.0856
Cl4	3.7157	2.6687	1.7817		2.9355	4.6904	2.3343
Cl5	3.7157	2.6687	1.7817	2.9355		4.6904	2.3343
H6	1.0633	2.2833	3.7306	4.6904	4.6904		4.2172
H7	3.1943	2.0951	1.0856	2.3343	2.3343	4.2172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.737	C2	C1	H6	177.791
C2	C3	Cl4	111.026	C2	C3	Cl5	111.026
C2	C3	H7	110.758	Cl4	C3	Cl5	110.931
Cl4	C3	H7	106.455	Cl5	C3	H7	106.455

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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