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	hartrees
Energy at 0K	-1530.617265
Energy at 298.15K	-1530.618877
HF Energy	-1529.690376
Nuclear repulsion energy	432.039376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3018	2890	34.20
2	A'	1852	1773	131.31
3	A'	1424	1364	11.41
4	A'	1076	1030	33.45
5	A'	899	860	87.92
6	A'	648	621	61.52
7	A'	457	437	2.70
8	A'	330	316	3.17
9	A'	285	273	0.99
10	A'	211	202	3.02
11	A"	1036	992	33.12
12	A"	787	753	117.32
13	A"	340	326	3.06
14	A"	262	251	1.25
15	A"	82	79	6.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	0.048	0.000
C2	0.922	-1.226	0.000
O3	0.491	-2.342	0.000
Cl4	-1.671	-0.349	0.000
Cl5	0.491	0.962	1.461
Cl6	0.491	0.962	-1.461
H7	2.001	-0.985	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5495	2.4320	1.7563	1.7812	1.7812	2.2162
C2	1.5495		1.1957	2.7367	2.6664	2.6664	1.1059
O3	2.4320	1.1957		2.9400	3.6126	3.6126	2.0299
Cl4	1.7563	2.7367	2.9400		2.9199	2.9199	3.7262
Cl5	1.7812	2.6664	3.6126	2.9199		2.9214	2.8646
Cl6	1.7812	2.6664	3.6126	2.9199	2.9214		2.8646
H7	2.2162	1.1059	2.0299	3.7262	2.8646	2.8646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.218	C1	C2	H7	112.069
C2	C1	Cl4	111.605	C2	C1	Cl5	106.153
C2	C1	Cl6	106.153	O3	C2	H7	123.713
Cl4	C1	Cl5	111.256	Cl4	C1	Cl6	111.256
Cl5	C1	Cl6	110.181

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

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

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)