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	hartrees
Energy at 0K	-1530.438906
Energy at 298.15K	-1530.440663
HF Energy	-1529.691923
Nuclear repulsion energy	435.021766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	2908	29.94
2	A'	1973	1826	173.41
3	A'	1481	1370	15.59
4	A'	1128	1043	32.10
5	A'	944	873	95.10
6	A'	676	625	67.44
7	A'	477	442	2.49
8	A'	342	316	3.38
9	A'	295	273	1.27
10	A'	219	203	3.35
11	A"	1098	1016	31.97
12	A"	829	767	125.72
13	A"	352	326	3.27
14	A"	271	251	1.59
15	A"	88	81	7.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.042	0.044	0.000
C2	0.916	-1.223	0.000
O3	0.488	-2.323	0.000
Cl4	-1.661	-0.344	0.000
Cl5	0.488	0.955	1.451
Cl6	0.488	0.955	-1.451
H7	1.986	-0.987	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5394	2.4086	1.7466	1.7703	1.7703	2.2004
C2	1.5394		1.1796	2.7227	2.6519	2.6519	1.0959
O3	2.4086	1.1796		2.9217	3.5846	3.5846	2.0067
Cl4	1.7466	2.7227	2.9217		2.9004	2.9004	3.7031
Cl5	1.7703	2.6519	3.5846	2.9004		2.9011	2.8492
Cl6	1.7703	2.6519	3.5846	2.9004	2.9011		2.8492
H7	2.2004	1.0959	2.0067	3.7031	2.8492	2.8492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.175	C1	C2	H7	112.127
C2	C1	Cl4	111.752	C2	C1	Cl5	106.292
C2	C1	Cl6	106.292	O3	C2	H7	123.697
Cl4	C1	Cl5	111.119	Cl4	C1	Cl6	111.119
Cl5	C1	Cl6	110.051

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

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

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)