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	hartrees
Energy at 0K	-1495.838847
Energy at 298.15K
HF Energy	-1494.965363
Nuclear repulsion energy	425.315497

Atom	x (Å)	y (Å)	z (Å)
C1	0.443	0.599	0.000
C2	-0.291	0.267	1.293
C3	-0.291	0.267	-1.293
Cl4	0.680	2.391	0.000
Cl5	-0.291	-1.480	-1.669
Cl6	-0.291	-1.480	1.669
H7	1.432	0.152	0.000
H8	0.197	0.768	-2.120
H9	0.197	0.768	2.120
H10	-1.324	0.599	-1.235
H11	-1.324	0.599	1.235

	C1	C2	C3	Cl4	Cl5	Cl6	H7	H8	H9	H10	H11
C1		1.5237	1.5237	1.8075	2.7651	2.7651	1.0855	2.1412	2.1412	2.1549	2.1549
C2	1.5237		2.5869	2.6696	3.4392	1.7866	2.1576	3.4849	1.0836	2.7508	1.0861
C3	1.5237	2.5869		2.6696	1.7866	3.4392	2.1576	1.0836	3.4849	1.0861	2.7508
Cl4	1.8075	2.6696	2.6696		4.3255	4.3255	2.3617	2.7131	2.7131	2.9577	2.9577
Cl5	2.7651	3.4392	1.7866	4.3255		3.3385	2.9015	2.3444	4.4333	2.3613	3.7174
Cl6	2.7651	1.7866	3.4392	4.3255	3.3385		2.9015	4.4333	2.3444	3.7174	2.3613
H7	1.0855	2.1576	2.1576	2.3617	2.9015	2.9015		2.5298	2.5298	3.0523	3.0523
H8	2.1412	3.4849	1.0836	2.7131	2.3444	4.4333	2.5298		4.2408	1.7683	3.6875
H9	2.1412	1.0836	3.4849	2.7131	4.4333	2.3444	2.5298	4.2408		3.6875	1.7683
H10	2.1549	2.7508	1.0861	2.9577	2.3613	3.7174	3.0523	1.7683	3.6875		2.4691
H11	2.1549	1.0861	2.7508	2.9577	3.7174	2.3613	3.0523	3.6875	1.7683	2.4691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.055	C1	C2	H9	109.258
C1	C2	H11	110.187	C1	C3	Cl5	113.055
C1	C3	H8	109.258	C1	C3	H10	110.187
C2	C1	C3	116.177	C2	C1	Cl4	106.214
C2	C1	H7	110.439	C3	C1	Cl4	106.214
C3	C1	H7	110.439	Cl4	C1	H7	106.768
Cl5	C3	H8	106.973	Cl5	C3	H10	108.082
Cl6	C2	H9	106.973	Cl6	C2	H11	108.082
H8	C3	H10	109.177	H9	C2	H11	109.177

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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