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	hartrees
Energy at 0K	-1488.745985
Energy at 298.15K	-1488.751986
HF Energy	-1488.070939
Nuclear repulsion energy	421.910294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3058	1.20
2	A'	3180	3025	0.69
3	A'	3143	2990	7.74
4	A'	1579	1502	7.30
5	A'	1405	1336	15.89
6	A'	1344	1278	1.08
7	A'	1271	1209	17.28
8	A'	1075	1022	2.80
9	A'	865	823	8.67
10	A'	818	779	0.89
11	A'	714	680	92.62
12	A'	407	387	0.19
13	A'	340	324	0.39
14	A'	172	164	7.25
15	A'	115	110	2.83
16	A"	3210	3054	0.21
17	A"	3144	2991	0.01
18	A"	1562	1486	12.50
19	A"	1431	1361	0.19
20	A"	1371	1304	0.30
21	A"	1227	1167	0.03
22	A"	1098	1044	0.23
23	A"	908	864	5.26
24	A"	745	709	9.37
25	A"	260	248	11.45
26	A"	253	241	0.00
27	A"	31	29	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.454	0.591	0.000
C2	-0.299	0.277	1.304
C3	-0.299	0.277	-1.304
Cl4	0.700	2.409	0.000
Cl5	-0.299	-1.492	-1.695
Cl6	-0.299	-1.492	1.695
H7	1.446	0.137	0.000
H8	0.191	0.779	-2.138
H9	0.191	0.779	2.138
H10	-1.336	0.609	-1.231
H11	-1.336	0.609	1.231

	C1	C2	C3	Cl4	Cl5	Cl6	H7	H8	H9	H10	H11
C1		1.5389	1.5389	1.8340	2.7894	2.7894	1.0906	2.1619	2.1619	2.1727	2.1727
C2	1.5389		2.6089	2.6919	3.4819	1.8112	2.1831	3.5130	1.0897	2.7590	1.0913
C3	1.5389	2.6089		2.6919	1.8112	3.4819	2.1831	1.0897	3.5130	1.0913	2.7590
Cl4	1.8340	2.6919	2.6919		4.3689	4.3689	2.3911	2.7357	2.7357	2.9834	2.9834
Cl5	2.7894	3.4819	1.8112	4.3689		3.3895	2.9276	2.3654	4.4818	2.3882	3.7478
Cl6	2.7894	1.8112	3.4819	4.3689	3.3895		2.9276	4.4818	2.3654	3.7478	2.3882
H7	1.0906	2.1831	2.1831	2.3911	2.9276	2.9276		2.5604	2.5604	3.0783	3.0783
H8	2.1619	3.5130	1.0897	2.7357	2.3654	4.4818	2.5604		4.2753	1.7847	3.7024
H9	2.1619	1.0897	3.5130	2.7357	4.4818	2.3654	2.5604	4.2753		3.7024	1.7847
H10	2.1727	2.7590	1.0913	2.9834	2.3882	3.7478	3.0783	1.7847	3.7024		2.4613
H11	2.1727	1.0913	2.7590	2.9834	3.7478	2.3882	3.0783	3.7024	1.7847	2.4613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.483	C1	C2	H9	109.474
C1	C2	H11	110.223	C1	C3	Cl5	112.483
C1	C3	H8	109.474	C1	C3	H10	110.223
C2	C1	C3	115.906	C2	C1	Cl4	105.561
C2	C1	H7	111.093	C3	C1	Cl4	105.561
C3	C1	H7	111.093	Cl4	C1	H7	106.924
Cl5	C3	H8	106.593	Cl5	C3	H10	108.158
Cl6	C2	H9	106.593	Cl6	C2	H11	108.158
H8	C3	H10	109.825	H9	C2	H11	109.825

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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