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	hartrees
Energy at 0K	-1034.334935
Energy at 298.15K	-1034.335761
HF Energy	-1033.646996
Nuclear repulsion energy	216.088974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	2965	10.86
2	A'	2297	2147	74.80
3	A'	1529	1429	0.34
4	A'	1361	1271	62.91
5	A'	1152	1076	0.18
6	A'	766	716	58.76
7	A'	639	597	21.24
8	A'	375	350	0.49
9	A'	237	221	0.24
10	A'	93	87	1.11
11	A"	3238	3026	1.36
12	A"	1247	1165	0.34
13	A"	948	886	0.38
14	A"	205	192	0.20
15	A"	178	166	5.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.189	0.214	0.000
C2	0.000	0.480	0.000
C3	-1.393	0.884	0.000
Cl4	2.773	-0.214	0.000
Cl5	-2.510	-0.516	0.000
H6	-1.624	1.474	0.883
H7	-1.624	1.474	-0.883

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2180	2.6672	1.6416	3.7702	3.2060	3.2060
C2	1.2180		1.4505	2.8590	2.7007	2.0989	2.0989
C3	2.6672	1.4505		4.3088	1.7916	1.0866	1.0866
Cl4	1.6416	2.8590	4.3088		5.2923	4.7924	4.7924
Cl5	3.7702	2.7007	1.7916	5.2923		2.3505	2.3505
H6	3.2060	2.0989	1.0866	4.7924	2.3505		1.7662
H7	3.2060	2.0989	1.0866	4.7924	2.3505	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.433	C2	C1	Cl4	177.513
C2	C3	Cl5	112.393	C2	C3	H6	110.828
C2	C3	H7	110.828	Cl5	C3	H6	106.935
Cl5	C3	H7	106.935	H6	C3	H7	108.728

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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