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	hartrees
Energy at 0K	-1022.653442
Energy at 298.15K	-1022.654374
HF Energy	-1022.426732
Nuclear repulsion energy	210.010247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3396	3018	0.76
2	A'	2418	2150	34.60
3	A'	1651	1467	0.52
4	A'	1424	1266	54.06
5	A'	1170	1040	8.85
6	A'	869	773	22.46
7	A'	639	568	14.10
8	A'	452	401	0.18
9	A'	273	242	0.27
10	A'	96	85	1.25
11	A"	3509	3119	0.94
12	A"	1310	1164	0.43
13	A"	996	885	0.01
14	A"	361	321	1.44
15	A"	180	160	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	2.850	-0.242	0.000
Cl5	-2.558	-0.531	0.000
H6	-1.690	1.531	0.904
H7	-1.690	1.531	-0.904

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2243	2.7232	1.7300	3.8122	3.2867	3.2867
C2	1.2243		1.4989	2.9543	2.7717	2.1604	2.1604
C3	2.7232	1.4989		4.4532	1.8407	1.1111	1.1111
Cl4	1.7300	2.9543	4.4532		5.4163	4.9578	4.9578
Cl5	3.8122	2.7717	1.8407	5.4163		2.4137	2.4137
H6	3.2867	2.1604	1.1111	4.9578	2.4137		1.8085
H7	3.2867	2.1604	1.1111	4.9578	2.4137	1.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.876	C2	C1	Cl4	179.882
C2	C3	Cl5	111.782	C2	C3	H6	110.864
C2	C3	H7	110.864	Cl5	C3	H6	107.109
Cl5	C3	H7	107.109	H6	C3	H7	108.949

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

using model chemistry: MP2=FULL/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=FULL/STO-3G

States and conformations

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