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	hartrees
Energy at 0K	-573.306916
Energy at 298.15K	-573.308055
HF Energy	-572.812184
Nuclear repulsion energy	87.389766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3078	2964
2	A'	1827	1760
3	A'	1344	1294
4	A'	746	718
5	A'	458	441
6	A"	942	908

Atom	x (Å)	y (Å)
C1	0.000	0.801
O2	1.134	1.174
Cl3	-0.480	-0.920
H4	-0.906	1.441

	C1	O2	Cl3	H4
C1		1.1933	1.7867	1.1092
O2	1.1933		2.6435	2.0569
Cl3	1.7867	2.6435		2.3993
H4	1.1092	2.0569	2.3993

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.791		O2	C1	H4	126.546
Cl3	C1	H4	109.663

All results from a given calculation for COHCl (Formyl chloride)

using model chemistry: CCSD(T)=FULL/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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