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	hartrees
Energy at 0K	-1495.925561
Energy at 298.15K	-1495.931661
HF Energy	-1495.061518
Nuclear repulsion energy	426.674496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3048	3.36
2	A'	3161	3004	3.77
3	A'	3131	2975	15.70
4	A'	1497	1423	4.61
5	A'	1400	1331	21.35
6	A'	1316	1251	0.84
7	A'	1274	1210	29.63
8	A'	1089	1035	3.14
9	A'	904	859	12.37
10	A'	865	822	1.37
11	A'	775	736	87.06
12	A'	398	378	0.15
13	A'	355	337	0.20
14	A'	174	166	5.67
15	A'	126	119	2.13
16	A"	3205	3045	0.93
17	A"	3131	2975	0.07
18	A"	1478	1404	6.21
19	A"	1413	1343	0.01
20	A"	1349	1281	1.19
21	A"	1204	1144	1.13
22	A"	1157	1099	0.00
23	A"	887	843	4.50
24	A"	805	765	11.07
25	A"	261	248	4.87
26	A"	256	243	4.42
27	A"	21	19	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.443	0.587	0.000
C2	-0.292	0.267	1.296
C3	-0.292	0.267	-1.296
Cl4	0.682	2.368	0.000
Cl5	-0.292	-1.467	-1.696
Cl6	-0.292	-1.467	1.696
H7	1.434	0.130	0.000
H8	0.201	0.779	-2.121
H9	0.201	0.779	2.121
H10	-1.327	0.607	-1.229
H11	-1.327	0.607	1.229

	C1	C2	C3	Cl4	Cl5	Cl6	H7	H8	H9	H10	H11
C1		1.5242	1.5242	1.7966	2.7633	2.7633	1.0911	2.1436	2.1436	2.1549	2.1549
C2	1.5242		2.5925	2.6540	3.4579	1.7791	2.1626	3.4905	1.0887	2.7504	1.0914
C3	1.5242	2.5925		2.6540	1.7791	3.4579	2.1626	1.0887	3.4905	1.0914	2.7504
Cl4	1.7966	2.6540	2.6540		4.3047	4.3047	2.3608	2.6939	2.6939	2.9403	2.9403
Cl5	2.7633	3.4579	1.7791	4.3047		3.3913	2.8991	2.3381	4.4558	2.3644	3.7320
Cl6	2.7633	1.7791	3.4579	4.3047	3.3913		2.8991	4.4558	2.3381	3.7320	2.3644
H7	1.0911	2.1626	2.1626	2.3608	2.8991	2.8991		2.5378	2.5378	3.0592	3.0592
H8	2.1436	3.4905	1.0887	2.6939	2.3381	4.4558	2.5378		4.2424	1.7770	3.6861
H9	2.1436	1.0887	3.4905	2.6939	4.4558	2.3381	2.5378	4.2424		3.6861	1.7770
H10	2.1549	2.7504	1.0914	2.9403	2.3644	3.7320	3.0592	1.7770	3.6861		2.4584
H11	2.1549	1.0914	2.7504	2.9403	3.7320	2.3644	3.0592	3.6861	1.7770	2.4584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.323	C1	C2	H9	109.106
C1	C2	H11	109.835	C1	C3	Cl5	113.323
C1	C3	H8	109.106	C1	C3	H10	109.835
C2	C1	C3	116.515	C2	C1	Cl4	105.816
C2	C1	H7	110.470	C3	C1	Cl4	105.816
C3	C1	H7	110.470	Cl4	C1	H7	107.137
Cl5	C3	H8	106.748	Cl5	C3	H10	108.528
Cl6	C2	H9	106.748	Cl6	C2	H11	108.528
H8	C3	H10	109.195	H9	C2	H11	109.195

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-)