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	hartrees
Energy at 0K	-1035.979444
Energy at 298.15K	-1035.980645
HF Energy	-1035.979444
Nuclear repulsion energy	217.735977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3106	2977	6.18
2	A'	2361	2263	85.05
3	A'	1469	1408	2.56
4	A'	1284	1231	49.33
5	A'	1137	1090	1.16
6	A'	730	700	69.04
7	A'	639	612	27.29
8	A'	456	437	0.76
9	A'	296	284	1.47
10	A'	93	89	1.20
11	A"	3156	3025	0.01
12	A"	1194	1145	0.21
13	A"	916	878	0.22
14	A"	387	371	0.04
15	A"	185	178	7.15

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

using model chemistry: B1B95/aug-cc-pVTZ

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: B1B95/aug-cc-pVTZ

States and conformations

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