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	hartrees
Energy at 0K	-1530.543364
Energy at 298.15K	-1530.544925
HF Energy	-1529.658321
Nuclear repulsion energy	430.832609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3032	2882	39.16
2	A'	1804	1715	99.59
3	A'	1387	1318	9.53
4	A'	1067	1014	28.27
5	A'	883	839	93.63
6	A'	641	609	59.91
7	A'	452	429	3.05
8	A'	325	309	3.43
9	A'	276	262	1.30
10	A'	205	195	2.67
11	A"	1018	968	28.19
12	A"	771	732	122.44
13	A"	334	317	2.30
14	A"	254	241	1.15
15	A"	85	81	5.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	0.045	0.000
C2	0.926	-1.229	0.000
O3	0.490	-2.354	0.000
Cl4	-1.671	-0.354	0.000
Cl5	0.490	0.968	1.463
Cl6	0.490	0.968	-1.463
H7	2.010	-0.970	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5498	2.4398	1.7604	1.7866	1.7866	2.2135
C2	1.5498		1.2063	2.7406	2.6754	2.6754	1.1145
O3	2.4398	1.2063		2.9442	3.6298	3.6298	2.0553
Cl4	1.7604	2.7406	2.9442		2.9259	2.9259	3.7327
Cl5	1.7866	2.6754	3.6298	2.9259		2.9255	2.8652
Cl6	1.7866	2.6754	3.6298	2.9259	2.9255		2.8652
H7	2.2135	1.1145	2.0553	3.7327	2.8652	2.8652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.084	C1	C2	H7	111.313
C2	C1	Cl4	111.616	C2	C1	Cl5	106.402
C2	C1	Cl6	106.402	O3	C2	H7	124.603
Cl4	C1	Cl5	111.149	Cl4	C1	Cl6	111.149
Cl5	C1	Cl6	109.913

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2=FULL/cc-pVDZ

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 CCl3CHO (trichloroacetaldehyde)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)