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	hartrees
Energy at 0K	-1034.347335
Energy at 298.15K	-1034.348058
HF Energy	-1033.643730
Nuclear repulsion energy	214.853470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3104	2986
2	A'	2324	2236
3	A'	1514	1457
4	A'	1344	1293
5	A'	1125	1083
6	A'	743	715
7	A'	627	603
8	A'	366	352
9	A'	231	222
10	A'	92	88
11	A"	3159	3039
12	A"	1227	1180
13	A"	939	904
14	A"	181	174
15	A"	171	164

Atom	x (Å)	y (Å)	z (Å)
C1	1.191	0.230	0.000
C2	0.000	0.474	0.000
C3	-1.404	0.881	0.000
Cl4	2.791	-0.199	0.000
Cl5	-2.523	-0.534	0.000
H6	-1.637	1.473	0.891
H7	-1.637	1.473	-0.891

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2162	2.6762	1.6557	3.7916	3.2157	3.2157
C2	1.2162		1.4621	2.8706	2.7167	2.1146	2.1146
C3	2.6762	1.4621		4.3317	1.8031	1.0947	1.0947
Cl4	1.6557	2.8706	4.3317		5.3238	4.8161	4.8161
Cl5	3.7916	2.7167	1.8031	5.3238		2.3673	2.3673
H6	3.2157	2.1146	1.0947	4.8161	2.3673		1.7815
H7	3.2157	2.1146	1.0947	4.8161	2.3673	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.476	C2	C1	Cl4	176.618
C2	C3	Cl5	112.189	C2	C3	H6	110.775
C2	C3	H7	110.775	Cl5	C3	H6	107.007
Cl5	C3	H7	107.007	H6	C3	H7	108.914

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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