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	hartrees
Energy at 0K	-1530.664148
Energy at 298.15K	-1530.665695
HF Energy	-1529.690470
Nuclear repulsion energy	430.387820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2984	2894
2	A'	1763	1710
3	A'	1399	1357
4	A'	1041	1010
5	A'	868	842
6	A'	635	615
7	A'	443	430
8	A'	324	314
9	A'	280	271
10	A'	206	200
11	A"	1018	987
12	A"	758	735
13	A"	335	325
14	A"	258	250
15	A"	82	79

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	0.050	0.000
C2	0.923	-1.229	0.000
O3	0.493	-2.354	0.000
Cl4	-1.675	-0.352	0.000
Cl5	0.493	0.966	1.466
Cl6	0.493	0.966	-1.466
H7	2.002	-0.974	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5556	2.4475	1.7597	1.7880	1.7880	2.2155
C2	1.5556		1.2053	2.7428	2.6746	2.6746	1.1085
O3	2.4475	1.2053		2.9519	3.6302	3.6302	2.0453
Cl4	1.7597	2.7428	2.9519		2.9310	2.9310	3.7300
Cl5	1.7880	2.6746	3.6302	2.9310		2.9327	2.8623
Cl6	1.7880	2.6746	3.6302	2.9310	2.9327		2.8623
H7	2.2155	1.1085	2.0453	3.7300	2.8623	2.8623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.377	C1	C2	H7	111.430
C2	C1	Cl4	111.501	C2	C1	Cl5	106.034
C2	C1	Cl6	106.034	O3	C2	H7	124.193
Cl4	C1	Cl5	111.411	Cl4	C1	Cl6	111.411
Cl5	C1	Cl6	110.187

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP4/6-311G**

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 CCl3CHO (trichloroacetaldehyde)

using model chemistry: MP4/6-311G**

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)