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	hartrees
Energy at 0K	-47.578587
Energy at 298.15K	-47.579361
HF Energy	-46.918794
Nuclear repulsion energy	67.823317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	2977	13.27
2	A'	2229	2124	77.89
3	A'	1511	1439	1.06
4	A'	1339	1276	63.25
5	A'	1124	1071	0.46
6	A'	755	719	62.39
7	A'	627	597	24.84
8	A'	397	378	0.16
9	A'	259	247	1.77
10	A'	96	92	1.29
11	A"	3196	3045	1.70
12	A"	1211	1153	0.66
13	A"	943	898	0.11
14	A"	182	174	8.07
15	A"	142	135	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.197	0.217	0.000
C2	0.000	0.485	0.000
C3	-1.402	0.914	0.000
Cl4	2.793	-0.244	0.000
Cl5	-2.530	-0.503	0.000
H6	-1.627	1.500	0.894
H7	-1.627	1.500	-0.894

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2264	2.6902	1.6620	3.7953	3.2282	3.2282
C2	1.2264		1.4657	2.8871	2.7160	2.1159	2.1159
C3	2.6902	1.4657		4.3519	1.8116	1.0922	1.0922
Cl4	1.6620	2.8871	4.3519		5.3294	4.8359	4.8359
Cl5	3.7953	2.7160	1.8116	5.3294		2.3720	2.3720
H6	3.2282	2.1159	1.0922	4.8359	2.3720		1.7870
H7	3.2282	2.1159	1.0922	4.8359	2.3720	1.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.632	C2	C1	Cl4	176.546
C2	C3	Cl5	111.502	C2	C3	H6	110.784
C2	C3	H7	110.784	Cl5	C3	H6	106.920
Cl5	C3	H7	106.920	H6	C3	H7	109.784

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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