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	hartrees
Energy at 0K	-1496.091114
Energy at 298.15K	-1496.097204
HF Energy	-1495.054253
Nuclear repulsion energy	426.817518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3043	2.87
2	A'	3166	2998	3.43
3	A'	3135	2970	15.22
4	A'	1521	1440	7.34
5	A'	1413	1339	19.12
6	A'	1329	1259	1.52
7	A'	1278	1210	25.82
8	A'	1095	1037	3.74
9	A'	906	858	12.76
10	A'	864	818	1.50
11	A'	772	731	88.56
12	A'	404	383	0.06
13	A'	354	335	0.23
14	A'	173	164	6.01
15	A'	125	119	2.57
16	A"	3210	3040	0.62
17	A"	3136	2970	0.04
18	A"	1501	1421	9.30
19	A"	1422	1346	0.03
20	A"	1365	1292	0.29
21	A"	1211	1147	0.76
22	A"	1162	1100	0.03
23	A"	891	844	5.70
24	A"	803	760	10.86
25	A"	262	248	6.41
26	A"	256	243	3.43
27	A"	18	17	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.441	0.587	0.000
C2	-0.291	0.267	1.295
C3	-0.291	0.267	-1.295
Cl4	0.679	2.369	0.000
Cl5	-0.291	-1.468	-1.694
Cl6	-0.291	-1.468	1.694
H7	1.434	0.134	0.000
H8	0.203	0.776	-2.121
H9	0.203	0.776	2.121
H10	-1.326	0.606	-1.235
H11	-1.326	0.606	1.235

	C1	C2	C3	Cl4	Cl5	Cl6	H7	H8	H9	H10	H11
C1		1.5215	1.5215	1.7977	2.7614	2.7614	1.0909	2.1423	2.1423	2.1558	2.1558
C2	1.5215		2.5900	2.6520	3.4559	1.7802	2.1606	3.4883	1.0880	2.7545	1.0907
C3	1.5215	2.5900		2.6520	1.7802	3.4559	2.1606	1.0880	3.4883	1.0907	2.7545
Cl4	1.7977	2.6520	2.6520		4.3043	4.3043	2.3588	2.6945	2.6945	2.9412	2.9412
Cl5	2.7614	3.4559	1.7802	4.3043		3.3877	2.8995	2.3364	4.4527	2.3628	3.7351
Cl6	2.7614	1.7802	3.4559	4.3043	3.3877		2.8995	4.4527	2.3364	3.7351	2.3628
H7	1.0909	2.1606	2.1606	2.3588	2.8995	2.8995		2.5345	2.5345	3.0598	3.0598
H8	2.1423	3.4883	1.0880	2.6945	2.3364	4.4527	2.5345		4.2411	1.7746	3.6912
H9	2.1423	1.0880	3.4883	2.6945	4.4527	2.3364	2.5345	4.2411		3.6912	1.7746
H10	2.1558	2.7545	1.0907	2.9412	2.3628	3.7351	3.0598	1.7746	3.6912		2.4701
H11	2.1558	1.0907	2.7545	2.9412	3.7351	2.3628	3.0598	3.6912	1.7746	2.4701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.283	C1	C2	H9	109.235
C1	C2	H11	110.149	C1	C3	Cl5	113.283
C1	C3	H8	109.235	C1	C3	H10	110.149
C2	C1	C3	116.678	C2	C1	Cl4	105.769
C2	C1	H7	110.517	C3	C1	Cl4	105.769
C3	C1	H7	110.517	Cl4	C1	H7	106.926
Cl5	C3	H8	106.589	Cl5	C3	H10	108.376
Cl6	C2	H9	106.589	Cl6	C2	H11	108.376
H8	C3	H10	109.085	H9	C2	H11	109.085

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

using model chemistry: MP2=FULL/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=FULL/6-311G*

States and conformations

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