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	hartrees
Energy at 0K	-1033.929358
Energy at 298.15K	-1033.930117
HF Energy	-1033.553962
Nuclear repulsion energy	231.626258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3480	3306	46.45
2	A'	3217	3056	0.44
3	A'	2127	2021	36.80
4	A'	1306	1241	29.74
5	A'	1023	972	62.53
6	A'	671	638	72.66
7	A'	612	582	9.55
8	A'	412	391	4.93
9	A'	252	239	0.32
10	A'	186	176	2.79
11	A"	1245	1183	24.61
12	A"	690	656	209.38
13	A"	570	542	1.45
14	A"	382	363	0.00
15	A"	101	96	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-1.634	2.103	0.000
C2	-0.737	1.258	0.000
C3	0.383	0.337	0.000
Cl4	0.383	-0.759	1.538
Cl5	0.383	-0.759	-1.538
H6	-2.451	2.794	0.000
H7	1.356	0.826	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2326	2.6809	3.8247	3.8247	1.0701	3.2516
C2	1.2326		1.4498	2.7728	2.7728	2.3018	2.1374
C3	2.6809	1.4498		1.8889	1.8889	3.7508	1.0886
Cl4	3.8247	2.7728	1.8889		3.0761	4.7984	2.4132
Cl5	3.8247	2.7728	1.8889	3.0761		4.7984	2.4132
H6	1.0701	2.3018	3.7508	4.7984	4.7984		4.2861
H7	3.2516	2.1374	1.0886	2.4132	2.4132	4.2861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.087	C2	C1	H6	176.888
C2	C3	Cl4	111.625	C2	C3	Cl5	111.625
C2	C3	H7	113.952	Cl4	C3	Cl5	109.024
Cl4	C3	H7	105.089	Cl5	C3	H7	105.089

All results from a given calculation for CHCl₂CCH (3,3-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 CHCl2CCH (3,3-dichloropropyne)

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

States and conformations

All results from a given calculation for CHCl₂CCH (3,3-dichloropropyne)