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	hartrees
Energy at 0K	-1529.897177
Energy at 298.15K	-1529.898493
HF Energy	-1529.427323
Nuclear repulsion energy	416.510571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	2947	18.18
2	A'	1722	1652	54.17
3	A'	1437	1379	7.93
4	A'	1064	1021	16.70
5	A'	835	801	64.38
6	A'	597	572	61.96
7	A'	414	397	2.36
8	A'	303	291	3.70
9	A'	262	252	2.90
10	A'	201	193	2.15
11	A"	1021	980	31.80
12	A"	688	660	89.59
13	A"	318	305	1.52
14	A"	230	220	1.84
15	A"	74	71	9.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.068	0.012	0.000
C2	0.950	-1.245	0.000
O3	0.508	-2.397	0.000
Cl4	-1.732	-0.391	0.000
Cl5	0.508	1.007	1.524
Cl6	0.508	1.007	-1.524
H7	2.028	-1.018	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5353	2.4488	1.8445	1.8723	1.8723	2.2142
C2	1.5353		1.2345	2.8152	2.7546	2.7546	1.1013
O3	2.4488	1.2345		3.0074	3.7297	3.7297	2.0524
Cl4	1.8445	2.8152	3.0074		3.0484	3.0484	3.8122
Cl5	1.8723	2.7546	3.7297	3.0484		3.0473	2.9554
Cl6	1.8723	2.7546	3.7297	3.0484	3.0473		2.9554
H7	2.2142	1.1013	2.0524	3.8122	2.9554	2.9554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.924	C1	C2	H7	113.208
C2	C1	Cl4	112.480	C2	C1	Cl5	107.459
C2	C1	Cl6	107.459	O3	C2	H7	122.869
Cl4	C1	Cl5	110.196	Cl4	C1	Cl6	110.196
Cl5	C1	Cl6	108.932

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)