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	hartrees
Energy at 0K	-1034.520487
Energy at 298.15K	-1034.521131
HF Energy	-1033.728738
Nuclear repulsion energy	215.791595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	2992	9.93
2	A'	2279	2172	77.87
3	A'	1492	1421	1.12
4	A'	1348	1284	60.90
5	A'	1136	1082	0.04
6	A'	749	713	59.98
7	A'	630	600	20.75
8	A'	371	353	0.51
9	A'	244	233	0.70
10	A'	84	80	1.31
11	A"	3204	3053	0.47
12	A"	1220	1162	1.02
13	A"	938	894	0.03
14	A"	193	184	2.89
15	A"	87	83	5.51

Atom	x (Å)	y (Å)	z (Å)
C1	1.185	0.213	0.000
C2	0.000	0.469	0.000
C3	-1.386	0.882	0.000
Cl4	2.779	-0.203	0.000
Cl5	-2.518	-0.522	0.000
H6	-1.613	1.468	0.886
H7	-1.613	1.468	-0.886

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2121	2.6567	1.6474	3.7754	3.1918	3.1918
C2	1.2121		1.4466	2.8589	2.7060	2.0942	2.0942
C3	2.6567	1.4466		4.3041	1.8034	1.0862	1.0862
Cl4	1.6474	2.8589	4.3041		5.3067	4.7818	4.7818
Cl5	3.7754	2.7060	1.8034	5.3067		2.3587	2.3587
H6	3.1918	2.0942	1.0862	4.7818	2.3587		1.7724
H7	3.1918	2.0942	1.0862	4.7818	2.3587	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.554	C2	C1	Cl4	177.524
C2	C3	Cl5	112.275	C2	C3	H6	110.740
C2	C3	H7	110.740	Cl5	C3	H6	106.785
Cl5	C3	H7	106.785	H6	C3	H7	109.346

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

using model chemistry: MP2=FULL/TZVP

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=FULL/TZVP

States and conformations

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