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	hartrees
Energy at 0K	-1034.313128
Energy at 298.15K	-1034.314268
HF Energy	-1033.643222
Nuclear repulsion energy	240.196504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3532	3315	54.37
2	A'	3218	3020	0.76
3	A'	2304	2163	18.29
4	A'	1332	1250	29.52
5	A'	1041	977	46.91
6	A'	744	698	36.84
7	A'	631	593	29.40
8	A'	463	434	3.10
9	A'	286	268	0.46
10	A'	212	199	2.30
11	A"	1310	1229	25.63
12	A"	818	767	163.47
13	A"	623	584	22.07
14	A"	448	421	0.10
15	A"	145	136	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-1.634	2.022	0.000
C2	-0.744	1.209	0.000
C3	0.385	0.288	0.000
Cl4	0.385	-0.725	1.470
Cl5	0.385	-0.725	-1.470
H6	-2.450	2.708	0.000
H7	1.326	0.833	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2046	2.6605	3.7122	3.7122	1.0669	3.1893
C2	1.2046		1.4570	2.6791	2.6791	2.2710	2.1042
C3	2.6605	1.4570		1.7856	1.7856	3.7274	1.0875
Cl4	3.7122	2.6791	1.7856		2.9402	4.6890	2.3399
Cl5	3.7122	2.6791	1.7856	2.9402		4.6890	2.3399
H6	1.0669	2.2710	3.7274	4.6890	4.6890		4.2162
H7	3.1893	2.1042	1.0875	2.3399	2.3399	4.2162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.777	C2	C1	H6	177.620
C2	C3	Cl4	111.021	C2	C3	Cl5	111.021
C2	C3	H7	110.742	Cl4	C3	Cl5	110.832
Cl4	C3	H7	106.520	Cl5	C3	H7	106.520

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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