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	hartrees
Energy at 0K	-1513.130914
Energy at 298.15K	-1513.131953
HF Energy	-1512.909768
Nuclear repulsion energy	415.669671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3345	2974	8.24
2	A'	1723	1532	35.71
3	A'	1445	1285	32.20
4	A'	1084	963	17.93
5	A'	977	869	72.21
6	A'	639	568	45.08
7	A'	457	406	1.10
8	A'	306	272	10.01
9	A'	256	227	2.79
10	A'	178	158	0.65
11	A"	1003	891	82.30
12	A"	855	760	32.90
13	A"	298	265	0.00
14	A"	221	196	2.90
15	A"	66	58	3.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.042	0.000
C2	0.979	-1.293	0.000
O3	0.491	-2.448	0.000
Cl4	-1.709	-0.399	0.000
Cl5	0.491	1.027	1.508
Cl6	0.491	1.027	-1.508
H7	2.072	-1.043	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.6110	2.5247	1.8397	1.8483	1.8483	2.2709
C2	1.6110		1.2538	2.8319	2.8099	2.8099	1.1215
O3	2.5247	1.2538		3.0063	3.7886	3.7886	2.1148
Cl4	1.8397	2.8319	3.0063		3.0248	3.0248	3.8350
Cl5	1.8483	2.8099	3.7886	3.0248		3.0167	3.0100
Cl6	1.8483	2.8099	3.7886	3.0248	3.0167		3.0100
H7	2.2709	1.1215	2.1148	3.8350	3.0100	3.0100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.113	C1	C2	H7	111.149
C2	C1	Cl4	110.128	C2	C1	Cl5	108.441
C2	C1	Cl6	108.441	O3	C2	H7	125.739
Cl4	C1	Cl5	110.201	Cl4	C1	Cl6	110.201
Cl5	C1	Cl6	109.386

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)