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	hartrees
Energy at 0K	-1034.349347
Energy at 298.15K	-1034.350045
HF Energy	-1033.642873
Nuclear repulsion energy	214.749794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3103	2963
2	A'	2272	2169
3	A'	1515	1446
4	A'	1344	1283
5	A'	1129	1078
6	A'	743	709
7	A'	627	599
8	A'	364	347
9	A'	232	221
10	A'	92	88
11	A"	3160	3017
12	A"	1227	1171
13	A"	941	898
14	A"	171	164
15	A"	165	158

Atom	x (Å)	y (Å)	z (Å)
C1	1.197	0.228	0.000
C2	0.000	0.471	0.000
C3	-1.400	0.886	0.000
Cl4	2.791	-0.212	0.000
Cl5	-2.528	-0.521	0.000
H6	-1.630	1.480	0.891
H7	-1.630	1.480	-0.891

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2214	2.6786	1.6540	3.7996	3.2177	3.2177
C2	1.2214		1.4598	2.8737	2.7158	2.1140	2.1140
C3	2.6786	1.4598		4.3323	1.8038	1.0951	1.0951
Cl4	1.6540	2.8737	4.3323		5.3284	4.8173	4.8173
Cl5	3.7996	2.7158	1.8038	5.3284		2.3673	2.3673
H6	3.2177	2.1140	1.0951	4.8173	2.3673		1.7812
H7	3.2177	2.1140	1.0951	4.8173	2.3673	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	174.960	C2	C1	Cl4	176.055
C2	C3	Cl5	112.214	C2	C3	H6	110.866
C2	C3	H7	110.866	Cl5	C3	H6	106.940
Cl5	C3	H7	106.940	H6	C3	H7	108.827

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

using model chemistry: MP4/6-31G*

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 CH2ClCCCl (1,3-dichloropropyne)

using model chemistry: MP4/6-31G*

States and conformations

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