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	hartrees
Energy at 0K	-1029.437832
Energy at 298.15K	-1029.439071
HF Energy	-1028.849983
Nuclear repulsion energy	214.491207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	3133	5.62
2	A'	2410	2410	48.62
3	A'	1560	1560	2.29
4	A'	1356	1356	33.50
5	A'	1087	1087	4.43
6	A'	713	713	52.18
7	A'	630	630	23.35
8	A'	463	463	0.21
9	A'	305	305	0.75
10	A'	96	96	1.17
11	A"	3184	3184	0.51
12	A"	1275	1275	0.09
13	A"	944	944	0.91
14	A"	426	426	0.60
15	A"	185	185	6.53

Atom	x (Å)	y (Å)	z (Å)
C1	1.174	0.235	0.000
C2	0.000	0.507	0.000
C3	-1.419	0.884	0.000
Cl4	2.786	-0.155	0.000
Cl5	-2.503	-0.590	0.000
H6	-1.674	1.457	0.894
H7	-1.674	1.457	-0.894

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2048	2.6728	1.6593	3.7681	3.2245	3.2245
C2	1.2048		1.4683	2.8641	2.7330	2.1215	2.1215
C3	2.6728	1.4683		4.3321	1.8299	1.0915	1.0915
Cl4	1.6593	2.8641	4.3321		5.3072	4.8257	4.8257
Cl5	3.7681	2.7330	1.8299	5.3072		2.3826	2.3826
H6	3.2245	2.1215	1.0915	4.8257	2.3826		1.7877
H7	3.2245	2.1215	1.0915	4.8257	2.3826	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.176	C2	C1	Cl4	179.440
C2	C3	Cl5	111.444	C2	C3	H6	111.091
C2	C3	H7	111.091	Cl5	C3	H6	106.533
Cl5	C3	H7	106.533	H6	C3	H7	109.955

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

using model chemistry: MP3=FULL/3-21G*

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=FULL/3-21G*

States and conformations

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