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	hartrees
Energy at 0K	-1495.887564
Energy at 298.15K	-1495.893646
HF Energy	-1495.054280
Nuclear repulsion energy	426.378055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3050	2.99
2	A'	3162	3005	3.44
3	A'	3132	2976	15.32
4	A'	1520	1445	7.05
5	A'	1412	1342	19.50
6	A'	1328	1262	1.47
7	A'	1278	1214	25.98
8	A'	1094	1040	3.76
9	A'	903	858	12.84
10	A'	861	818	1.40
11	A'	769	730	90.22
12	A'	404	383	0.07
13	A'	353	336	0.24
14	A'	173	165	6.13
15	A'	125	119	2.54
16	A"	3207	3047	0.65
17	A"	3132	2977	0.05
18	A"	1500	1426	9.07
19	A"	1420	1350	0.02
20	A"	1364	1296	0.36
21	A"	1211	1151	0.79
22	A"	1158	1100	0.03
23	A"	890	846	5.53
24	A"	800	761	11.15
25	A"	261	248	6.71
26	A"	256	243	3.28
27	A"	19	18	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.590	0.000
C2	-0.287	0.272	1.291
C3	-0.287	0.272	-1.291
Cl4	0.665	2.385	0.000
Cl5	-0.287	-1.477	-1.654
Cl6	-0.287	-1.477	1.654
H7	1.444	0.154	0.000
H8	0.210	0.762	-2.125
H9	0.210	0.762	2.125
H10	-1.324	0.603	-1.235
H11	-1.324	0.603	1.235

	C1	C2	C3	Cl4	Cl5	Cl6	H7	H8	H9	H10	H11
C1		1.5171	1.5171	1.8084	2.7467	2.7467	1.0905	2.1451	2.1451	2.1578	2.1578
C2	1.5171		2.5811	2.6522	3.4252	1.7870	2.1626	3.4863	1.0878	2.7503	1.0904
C3	1.5171	2.5811		2.6522	1.7870	3.4252	2.1626	1.0878	3.4863	1.0904	2.7503
Cl4	1.8084	2.6522	2.6522		4.3078	4.3078	2.3632	2.7125	2.7125	2.9428	2.9428
Cl5	2.7467	3.4252	1.7870	4.3078		3.3082	2.8972	2.3415	4.4209	2.3618	3.7080
Cl6	2.7467	1.7870	3.4252	4.3078	3.3082		2.8972	4.4209	2.3415	3.7080	2.3618
H7	1.0905	2.1626	2.1626	2.3632	2.8972	2.8972		2.5319	2.5319	3.0649	3.0649
H8	2.1451	3.4863	1.0878	2.7125	2.3415	4.4209	2.5319		4.2506	1.7813	3.6976
H9	2.1451	1.0878	3.4863	2.7125	4.4209	2.3415	2.5319	4.2506		3.6976	1.7813
H10	2.1578	2.7503	1.0904	2.9428	2.3618	3.7080	3.0649	1.7813	3.6976		2.4700
H11	2.1578	1.0904	2.7503	2.9428	3.7080	2.3618	3.0649	3.6976	1.7813	2.4700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.204	C1	C2	H9	109.770
C1	C2	H11	110.628	C1	C3	Cl5	112.204
C1	C3	H8	109.770	C1	C3	H10	110.628
C2	C1	C3	116.564	C2	C1	Cl4	105.450
C2	C1	H7	111.004	C3	C1	Cl4	105.450
C3	C1	H7	111.004	Cl4	C1	H7	106.573
Cl5	C3	H8	106.528	Cl5	C3	H10	107.872
Cl6	C2	H9	106.528	Cl6	C2	H11	107.872
H8	C3	H10	109.728	H9	C2	H11	109.728

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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