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	hartrees
Energy at 0K	-1495.250895
Energy at 298.15K	-1495.256707
Nuclear repulsion energy	410.814801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3095	2.86
2	A'	3183	3045	0.79
3	A'	3149	3013	8.22
4	A'	1557	1490	6.94
5	A'	1387	1327	21.45
6	A'	1322	1265	0.99
7	A'	1244	1190	20.80
8	A'	1069	1023	2.08
9	A'	890	852	7.03
10	A'	772	739	1.28
11	A'	662	633	90.39
12	A'	398	381	0.41
13	A'	316	302	0.68
14	A'	158	151	8.13
15	A'	105	100	3.72
16	A"	3231	3092	0.45
17	A"	3150	3014	0.24
18	A"	1538	1472	12.62
19	A"	1439	1377	0.00
20	A"	1353	1295	1.88
21	A"	1194	1142	0.08
22	A"	1160	1110	0.51
23	A"	893	854	4.70
24	A"	695	665	11.56
25	A"	247	237	12.82
26	A"	235	225	1.20
27	A"	26	25	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.432	0.574	0.000
C2	-0.309	0.300	1.306
C3	-0.309	0.300	-1.306
Cl4	0.738	2.474	0.000
Cl5	-0.309	-1.531	-1.770
Cl6	-0.309	-1.531	1.770
H7	1.434	0.139	0.000
H8	0.185	0.798	-2.141
H9	0.185	0.798	2.141
H10	-1.357	0.606	-1.247
H11	-1.357	0.606	1.247

	C1	C2	C3	Cl4	Cl5	Cl6	H7	H8	H9	H10	H11
C1		1.5265	1.5265	1.9241	2.8489	2.8489	1.0929	2.1666	2.1666	2.1806	2.1806
C2	1.5265		2.6120	2.7438	3.5801	1.8892	2.1845	3.5175	1.0905	2.7761	1.0930
C3	1.5265	2.6120		2.7438	1.8892	3.5801	2.1845	1.0905	3.5175	1.0930	2.7761
Cl4	1.9241	2.7438	2.7438		4.5024	4.5024	2.4362	2.7743	2.7743	3.0715	3.0715
Cl5	2.8489	3.5801	1.8892	4.5024		3.5406	2.9941	2.4099	4.5790	2.4369	3.8426
Cl6	2.8489	1.8892	3.5801	4.5024	3.5406		2.9941	4.5790	2.4099	3.8426	2.4369
H7	1.0929	2.1845	2.1845	2.4362	2.9941	2.9941		2.5649	2.5649	3.0925	3.0925
H8	2.1666	3.5175	1.0905	2.7743	2.4099	4.5790	2.5649		4.2816	1.7928	3.7268
H9	2.1666	1.0905	3.5175	2.7743	4.5790	2.4099	2.5649	4.2816		3.7268	1.7928
H10	2.1806	2.7761	1.0930	3.0715	2.4369	3.8426	3.0925	1.7928	3.7268		2.4931
H11	2.1806	1.0930	2.7761	3.0715	3.8426	2.4369	3.0925	3.7268	1.7928	2.4931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.604	C1	C2	H9	110.657
C1	C2	H11	111.633	C1	C3	Cl5	112.604
C1	C3	H8	110.657	C1	C3	H10	111.633
C2	C1	C3	117.639	C2	C1	Cl4	104.756
C2	C1	H7	111.956	C3	C1	Cl4	104.756
C3	C1	H7	111.956	Cl4	C1	H7	104.297
Cl5	C3	H8	104.753	Cl5	C3	H10	106.530
Cl6	C2	H9	104.753	Cl6	C2	H11	106.530
H8	C3	H10	110.382	H9	C2	H11	110.382

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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