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	hartrees
Energy at 0K	-1022.652000
Energy at 298.15K	-1022.652931
HF Energy	-1022.426689
Nuclear repulsion energy	209.988362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3395	2960	0.76
2	A'	2418	2108	34.57
3	A'	1650	1439	0.53
4	A'	1424	1241	54.08
5	A'	1170	1020	8.91
6	A'	869	758	22.48
7	A'	639	557	14.11
8	A'	451	394	0.18
9	A'	272	238	0.27
10	A'	96	83	1.25
11	A"	3508	3059	0.95
12	A"	1310	1142	0.43
13	A"	996	868	0.01
14	A"	361	315	1.44
15	A"	180	157	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.181	0.212	0.000
C2	0.000	0.535	0.000
C3	-1.445	0.934	0.000
Cl4	2.851	-0.242	0.000
Cl5	-2.558	-0.532	0.000
H6	-1.691	1.531	0.904
H7	-1.691	1.531	-0.904

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2244	2.7235	1.7302	3.8126	3.2872	3.2872
C2	1.2244		1.4991	2.9546	2.7720	2.1607	2.1607
C3	2.7235	1.4991		4.4537	1.8409	1.1112	1.1112
Cl4	1.7302	2.9546	4.4537		5.4168	4.9583	4.9583
Cl5	3.8126	2.7720	1.8409	5.4168		2.4139	2.4139
H6	3.2872	2.1607	1.1112	4.9583	2.4139		1.8088
H7	3.2872	2.1607	1.1112	4.9583	2.4139	1.8088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.875	C2	C1	Cl4	179.881
C2	C3	Cl5	111.774	C2	C3	H6	110.865
C2	C3	H7	110.865	Cl5	C3	H6	107.105
Cl5	C3	H7	107.105	H6	C3	H7	108.962

All results from a given calculation for CH₂ClCCCl (1,3-dichloropropyne)

using model chemistry: MP2/STO-3G

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 CH2ClCCCl (1,3-dichloropropyne)

using model chemistry: MP2/STO-3G

States and conformations

All results from a given calculation for CH₂ClCCCl (1,3-dichloropropyne)