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	hartrees
Energy at 0K	-1034.469088
Energy at 298.15K	-1034.469792
HF Energy	-1033.701201
Nuclear repulsion energy	213.132655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3103	3031
2	A'	2272	2219
3	A'	1515	1480
4	A'	1344	1313
5	A'	1129	1103
6	A'	743	726
7	A'	627	612
8	A'	364	355
9	A'	232	226
10	A'	92	90
11	A"	3160	3087
12	A"	1227	1199
13	A"	941	919
14	A"	171	167
15	A"	165	161

Atom	x (Å)	y (Å)	z (Å)
C1	1.200	0.204	0.000
C2	0.000	0.490	0.000
C3	-1.404	0.921	0.000
Cl4	2.807	-0.241	0.000
Cl5	-2.542	-0.506	0.000
H6	-1.641	1.506	0.902
H7	-1.641	1.506	-0.902

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2335	2.7005	1.6672	3.8088	3.2523	3.2523
C2	1.2335		1.4684	2.9002	2.7299	2.1303	2.1303
C3	2.7005	1.4684		4.3677	1.8256	1.1007	1.1007
Cl4	1.6672	2.9002	4.3677		5.3551	4.8625	4.8625
Cl5	3.8088	2.7299	1.8256	5.3551		2.3822	2.3822
H6	3.2523	2.1303	1.1007	4.8625	2.3822		1.8035
H7	3.2523	2.1303	1.1007	4.8625	2.3822	1.8035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.279	C2	C1	Cl4	177.879
C2	C3	Cl5	111.479	C2	C3	H6	111.228
C2	C3	H7	111.228	Cl5	C3	H6	106.333
Cl5	C3	H7	106.333	H6	C3	H7	110.020

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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