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	hartrees
Energy at 0K	-1034.356935
Energy at 298.15K	-1034.358009
HF Energy	-1033.693974
Nuclear repulsion energy	214.693502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	2977	10.99
2	A'	2261	2154	77.48
3	A'	1473	1403	1.20
4	A'	1303	1241	53.38
5	A'	1143	1089	0.27
6	A'	759	723	56.08
7	A'	634	604	21.57
8	A'	413	394	0.12
9	A'	277	264	0.77
10	A'	94	89	1.00
11	A"	3192	3040	0.85
12	A"	1208	1151	0.41
13	A"	922	878	0.32
14	A"	325	310	0.34
15	A"	181	173	6.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.191	0.194	0.000
C2	0.000	0.505	0.000
C3	-1.403	0.910	0.000
Cl4	2.786	-0.240	0.000
Cl5	-2.518	-0.505	0.000
H6	-1.640	1.505	0.895
H7	-1.640	1.505	-0.895

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2308	2.6911	1.6528	3.7742	3.2455	3.2455
C2	1.2308		1.4605	2.8836	2.7128	2.1192	2.1192
C3	2.6911	1.4605		4.3440	1.8013	1.1004	1.1004
Cl4	1.6528	2.8836	4.3440		5.3104	4.8407	4.8407
Cl5	3.7742	2.7128	1.8013	5.3104		2.3688	2.3688
H6	3.2455	2.1192	1.1004	4.8407	2.3688		1.7900
H7	3.2455	2.1192	1.1004	4.8407	2.3688	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.496	C2	C1	Cl4	179.395
C2	C3	Cl5	112.117	C2	C3	H6	110.903
C2	C3	H7	110.903	Cl5	C3	H6	106.943
Cl5	C3	H7	106.943	H6	C3	H7	108.844

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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