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	hartrees
Energy at 0K	-1495.838727
Energy at 298.15K	-1495.844811
HF Energy	-1494.957465
Nuclear repulsion energy	425.380037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3037	3.11
2	A'	3196	2998	2.58
3	A'	3168	2972	12.42
4	A'	1553	1457	5.32
5	A'	1423	1335	17.97
6	A'	1332	1250	0.78
7	A'	1283	1204	25.48
8	A'	1102	1034	2.11
9	A'	912	856	10.98
10	A'	867	814	1.26
11	A'	771	723	87.89
12	A'	407	381	0.19
13	A'	354	332	0.33
14	A'	172	162	6.61
15	A'	118	110	2.78
16	A"	3233	3034	0.70
17	A"	3167	2971	0.07
18	A"	1535	1441	9.98
19	A"	1446	1357	0.18
20	A"	1369	1284	1.12
21	A"	1216	1141	0.59
22	A"	1170	1098	0.07
23	A"	901	845	4.82
24	A"	806	756	9.37
25	A"	265	249	11.09
26	A"	259	243	0.39
27	A"	26	24	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.444	0.596	0.000
C2	-0.293	0.268	1.293
C3	-0.293	0.268	-1.293
Cl4	0.684	2.388	0.000
Cl5	-0.293	-1.479	-1.667
Cl6	-0.293	-1.479	1.667
H7	1.436	0.145	0.000
H8	0.197	0.771	-2.125
H9	0.197	0.771	2.125
H10	-1.330	0.601	-1.232
H11	-1.330	0.601	1.232

	C1	C2	C3	Cl4	Cl5	Cl6	H7	H8	H9	H10	H11
C1		1.5234	1.5234	1.8074	2.7615	2.7615	1.0903	2.1464	2.1464	2.1597	2.1597
C2	1.5234		2.5855	2.6677	3.4367	1.7866	2.1621	3.4890	1.0886	2.7501	1.0910
C3	1.5234	2.5855		2.6677	1.7866	3.4367	2.1621	1.0886	3.4890	1.0910	2.7501
Cl4	1.8074	2.6677	2.6677		4.3221	4.3221	2.3653	2.7140	2.7140	2.9609	2.9609
Cl5	2.7615	3.4367	1.7866	4.3221		3.3335	2.8989	2.3477	4.4361	2.3643	3.7157
Cl6	2.7615	1.7866	3.4367	4.3221	3.3335		2.8989	4.4361	2.3477	3.7157	2.3643
H7	1.0903	2.1621	2.1621	2.3653	2.8989	2.8989		2.5385	2.5385	3.0623	3.0623
H8	2.1464	3.4890	1.0886	2.7140	2.3477	4.4361	2.5385		4.2499	1.7765	3.6921
H9	2.1464	1.0886	3.4890	2.7140	4.4361	2.3477	2.5385	4.2499		3.6921	1.7765
H10	2.1597	2.7501	1.0910	2.9609	2.3643	3.7157	3.0623	1.7765	3.6921		2.4649
H11	2.1597	1.0910	2.7501	2.9609	3.7157	2.3643	3.0623	3.6921	1.7765	2.4649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.843	C1	C2	H9	109.396
C1	C2	H11	110.298	C1	C3	Cl5	112.843
C1	C3	H8	109.396	C1	C3	H10	110.298
C2	C1	C3	116.119	C2	C1	Cl4	106.123
C2	C1	H7	110.537	C3	C1	Cl4	106.123
C3	C1	H7	110.537	Cl4	C1	H7	106.799
Cl5	C3	H8	106.966	Cl5	C3	H10	108.043
Cl6	C2	H9	106.966	Cl6	C2	H11	108.043
H8	C3	H10	109.186	H9	C2	H11	109.186

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

using model chemistry: MP3=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 C3H5Cl3 (Propane, 1,2,3-trichloro-)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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