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	hartrees
Energy at 0K	-1034.387536
Energy at 298.15K	-1034.388726
HF Energy	-1033.696319
Nuclear repulsion energy	214.740183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	2982	9.99
2	A'	2403	2278	65.29
3	A'	1483	1406	1.35
4	A'	1317	1248	52.29
5	A'	1136	1077	0.15
6	A'	763	723	51.19
7	A'	640	607	20.96
8	A'	441	418	0.02
9	A'	292	277	0.89
10	A'	97	92	0.96
11	A"	3205	3038	1.09
12	A"	1215	1152	0.53
13	A"	927	879	0.15
14	A"	370	350	0.40
15	A"	188	178	5.96

Atom	x (Å)	y (Å)	z (Å)
C1	1.180	0.215	0.000
C2	0.000	0.502	0.000
C3	-1.417	0.885	0.000
Cl4	2.789	-0.189	0.000
Cl5	-2.510	-0.549	0.000
H6	-1.659	1.475	0.895
H7	-1.659	1.475	-0.895

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2143	2.6820	1.6592	3.7687	3.2321	3.2321
C2	1.2143		1.4679	2.8735	2.7215	2.1212	2.1212
C3	2.6820	1.4679		4.3412	1.8033	1.0990	1.0990
Cl4	1.6592	2.8735	4.3412		5.3115	4.8327	4.8327
Cl5	3.7687	2.7215	1.8033	5.3115		2.3716	2.3716
H6	3.2321	2.1212	1.0990	4.8327	2.3716		1.7898
H7	3.2321	2.1212	1.0990	4.8327	2.3716	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.524	C2	C1	Cl4	179.526
C2	C3	Cl5	112.194	C2	C3	H6	110.635
C2	C3	H7	110.635	Cl5	C3	H6	107.092
Cl5	C3	H7	107.092	H6	C3	H7	109.039

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

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

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