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	hartrees
Energy at 0K	-160.939618
Energy at 298.15K	-160.945395
HF Energy	-160.570516
Nuclear repulsion energy	177.639150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3093	11.34
2	A'	3166	3049	3.08
3	A'	3116	3001	20.72
4	A'	1523	1467	9.02
5	A'	1388	1336	14.59
6	A'	1300	1252	0.74
7	A'	1238	1192	15.05
8	A'	1062	1022	1.64
9	A'	879	847	6.24
10	A'	772	743	0.79
11	A'	663	639	69.49
12	A'	397	382	0.39
13	A'	314	302	0.60
14	A'	159	153	8.19
15	A'	106	103	3.19
16	A"	3208	3089	3.72
17	A"	3117	3002	3.55
18	A"	1505	1449	8.27
19	A"	1420	1368	0.01
20	A"	1352	1302	1.51
21	A"	1176	1132	0.03
22	A"	1139	1097	0.52
23	A"	900	867	3.33
24	A"	698	672	8.86
25	A"	245	236	13.63
26	A"	235	227	0.72
27	A"	22	21	1.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.466	0.444	0.000
C2	-0.286	0.167	1.321
C3	-0.286	0.167	-1.321
Cl4	0.773	2.342	0.000
Cl5	-0.286	-1.667	-1.770
Cl6	-0.286	-1.667	1.770
H7	1.471	-0.002	0.000
H8	0.218	0.662	-2.160
H9	0.218	0.662	2.160
H10	-1.339	0.479	-1.261
H11	-1.339	0.479	1.261

	C1	C2	C3	Cl4	Cl5	Cl6	H7	H8	H9	H10	H11
C1		1.5452	1.5452	1.9223	2.8559	2.8559	1.0993	2.1854	2.1854	2.2014	2.2014
C2	1.5452		2.6428	2.7560	3.5949	1.8888	2.2047	3.5528	1.0970	2.8058	1.0993
C3	1.5452	2.6428		2.7560	1.8888	3.5949	2.2047	1.0970	3.5528	1.0993	2.8058
Cl4	1.9223	2.7560	2.7560		4.5086	4.5086	2.4446	2.7921	2.7921	3.0856	3.0856
Cl5	2.8559	3.5949	1.8888	4.5086		3.5400	2.9990	2.4153	4.5967	2.4439	3.8599
Cl6	2.8559	1.8888	3.5949	4.5086	3.5400		2.9990	4.5967	2.4153	3.8599	2.4439
H7	1.0993	2.2047	2.2047	2.4446	2.9990	2.9990		2.5838	2.5838	3.1165	3.1165
H8	2.1854	3.5528	1.0970	2.7921	2.4153	4.5967	2.5838		4.3208	1.8077	3.7633
H9	2.1854	1.0970	3.5528	2.7921	4.5967	2.4153	2.5838	4.3208		3.7633	1.8077
H10	2.2014	2.8058	1.0993	3.0856	2.4439	3.8599	3.1165	1.8077	3.7633		2.5215
H11	2.2014	1.0993	2.8058	3.0856	3.8599	2.4439	3.1165	3.7633	1.8077	2.5215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.151	C1	C2	H9	110.457
C1	C2	H11	111.589	C1	C3	Cl5	112.151
C1	C3	H8	110.457	C1	C3	H10	111.589
C2	C1	C3	117.548	C2	C1	Cl4	104.752
C2	C1	H7	111.850	C3	C1	Cl4	104.752
C3	C1	H7	111.850	Cl4	C1	H7	104.699
Cl5	C3	H8	104.863	Cl5	C3	H10	106.749
Cl6	C2	H9	104.863	Cl6	C2	H11	106.749
H8	C3	H10	110.783	H9	C2	H11	110.783

All results from a given calculation for C₃H₅Cl₃ (Propane, 1,2,3-trichloro-)

using model chemistry: MP2/LANL2DZ

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 C3H5Cl3 (Propane, 1,2,3-trichloro-)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₃H₅Cl₃ (Propane, 1,2,3-trichloro-)