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	hartrees
Energy at 0K	-63.667271
Energy at 298.15K	-63.673008
HF Energy	-63.319968
Nuclear repulsion energy	123.805904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3108	16.34
2	A'	3163	3057	5.74
3	A'	3112	3007	30.15
4	A'	1511	1460	8.39
5	A'	1387	1340	18.90
6	A'	1293	1249	0.55
7	A'	1235	1193	24.37
8	A'	1058	1022	3.52
9	A'	875	846	6.44
10	A'	781	754	0.86
11	A'	674	651	78.54
12	A'	386	373	0.59
13	A'	314	304	0.59
14	A'	156	150	8.16
15	A'	103	99	3.45
16	A"	3214	3106	4.69
17	A"	3113	3008	3.62
18	A"	1491	1441	5.56
19	A"	1408	1361	0.05
20	A"	1345	1300	2.70
21	A"	1167	1128	0.37
22	A"	1135	1096	0.30
23	A"	891	861	4.44
24	A"	707	683	9.83
25	A"	244	236	13.65
26	A"	234	226	0.84
27	A"	7	7	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.461	0.488	0.000
C2	-0.302	0.211	1.333
C3	-0.302	0.211	-1.333
Cl4	0.807	2.378	0.000
Cl5	-0.302	-1.627	-1.787
Cl6	-0.302	-1.627	1.787
H7	1.460	0.013	0.000
H8	0.205	0.714	-2.174
H9	0.205	0.714	2.174
H10	-1.360	0.526	-1.267
H11	-1.360	0.526	1.267

	C1	C2	C3	Cl4	Cl5	Cl6	H7	H8	H9	H10	H11
C1		1.5605	1.5605	1.9213	2.8721	2.8721	1.1064	2.2003	2.2003	2.2190	2.2190
C2	1.5605		2.6654	2.7755	3.6208	1.8928	2.2184	3.5784	1.1035	2.8245	1.1064
C3	1.5605	2.6654		2.7755	1.8928	3.6208	2.2184	1.1035	3.5784	1.1064	2.8245
Cl4	1.9213	2.7755	2.7755		4.5235	4.5235	2.4532	2.8027	2.8027	3.1199	3.1199
Cl5	2.8721	3.6208	1.8928	4.5235		3.5745	2.9984	2.4262	4.6288	2.4545	3.8835
Cl6	2.8721	1.8928	3.6208	4.5235	3.5745		2.9984	4.6288	2.4262	3.8835	2.4545
H7	1.1064	2.2184	2.2184	2.4532	2.9984	2.9984		2.6060	2.6060	3.1345	3.1345
H8	2.2003	3.5784	1.1035	2.8027	2.4262	4.6288	2.6060		4.3473	1.8190	3.7847
H9	2.2003	1.1035	3.5784	2.8027	4.6288	2.4262	2.6060	4.3473		3.7847	1.8190
H10	2.2190	2.8245	1.1064	3.1199	2.4545	3.8835	3.1345	1.8190	3.7847		2.5338
H11	2.2190	1.1064	2.8245	3.1199	3.8835	2.4545	3.1345	3.7847	1.8190	2.5338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.187	C1	C2	H9	110.180
C1	C2	H11	111.489	C1	C3	Cl5	112.187
C1	C3	H8	110.180	C1	C3	H10	111.489
C2	C1	C3	117.303	C2	C1	Cl4	105.243
C2	C1	H7	111.430	C3	C1	Cl4	105.243
C3	C1	H7	111.430	Cl4	C1	H7	105.033
Cl5	C3	H8	105.064	Cl5	C3	H10	106.905
Cl6	C2	H9	105.064	Cl6	C2	H11	106.905
H8	C3	H10	110.799	H9	C2	H11	110.799

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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