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	hartrees
Energy at 0K	-1530.549324
Energy at 298.15K	-1530.550912
HF Energy	-1529.659217
Nuclear repulsion energy	430.233134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3039	2908	33.99
2	A'	1890	1808	116.49
3	A'	1405	1344	12.60
4	A'	1086	1039	22.11
5	A'	899	860	85.84
6	A'	644	616	59.17
7	A'	455	435	2.31
8	A'	326	311	3.27
9	A'	277	265	1.59
10	A'	208	199	2.64
11	A"	1033	989	29.00
12	A"	784	750	108.06
13	A"	334	320	2.10
14	A"	253	242	1.42
15	A"	85	82	5.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.047	0.041	0.000
C2	0.928	-1.235	0.000
O3	0.491	-2.350	0.000
Cl4	-1.675	-0.355	0.000
Cl5	0.491	0.970	1.466
Cl6	0.491	0.970	-1.466
H7	2.014	-0.986	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5509	2.4319	1.7671	1.7910	1.7910	2.2196
C2	1.5509		1.1974	2.7477	2.6835	2.6835	1.1147
O3	2.4319	1.1974		2.9443	3.6288	3.6288	2.0448
Cl4	1.7671	2.7477	2.9443		2.9319	2.9319	3.7431
Cl5	1.7910	2.6835	3.6288	2.9319		2.9316	2.8802
Cl6	1.7910	2.6835	3.6288	2.9319	2.9316		2.8802
H7	2.2196	1.1147	2.0448	3.7431	2.8802	2.8802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.968	C1	C2	H7	111.709
C2	C1	Cl4	111.649	C2	C1	Cl5	106.609
C2	C1	Cl6	106.609	O3	C2	H7	124.323
Cl4	C1	Cl5	110.971	Cl4	C1	Cl6	110.971
Cl5	C1	Cl6	109.852

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)