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	hartrees
Energy at 0K	-1530.665259
Energy at 298.15K	-1530.666812
HF Energy	-1529.610191
Nuclear repulsion energy	433.988985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3038	2869	22.85
2	A'	1808	1708	90.34
3	A'	1395	1318	8.98
4	A'	1068	1009	32.94
5	A'	889	840	88.22
6	A'	647	611	54.48
7	A'	457	432	2.42
8	A'	322	304	3.29
9	A'	273	258	1.44
10	A'	203	192	2.97
11	A"	1018	962	27.97
12	A"	784	741	111.79
13	A"	330	312	2.58
14	A"	252	238	1.56
15	A"	86	81	5.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	0.048	0.000
C2	0.924	-1.220	0.000
O3	0.486	-2.337	0.000
Cl4	-1.658	-0.353	0.000
Cl5	0.486	0.962	1.452
Cl6	0.486	0.962	-1.452
H7	1.998	-0.966	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5448	2.4257	1.7457	1.7720	1.7720	2.2044
C2	1.5448		1.1998	2.7236	2.6567	2.6567	1.1040
O3	2.4257	1.1998		2.9208	3.6037	3.6037	2.0412
Cl4	1.7457	2.7236	2.9208		2.9037	2.9037	3.7075
Cl5	1.7720	2.6567	3.6037	2.9037		2.9033	2.8481
Cl6	1.7720	2.6567	3.6037	2.9037	2.9033		2.8481
H7	2.2044	1.1040	2.0412	3.7075	2.8481	2.8481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.724	C1	C2	H7	111.578
C2	C1	Cl4	111.582	C2	C1	Cl5	106.243
C2	C1	Cl6	106.243	O3	C2	H7	124.698
Cl4	C1	Cl5	111.266	Cl4	C1	Cl6	111.266
Cl5	C1	Cl6	110.008

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)