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	hartrees
Energy at 0K	-450.500157
Energy at 298.15K	-450.502595
HF Energy	-449.506369
Nuclear repulsion energy	251.546228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3036	2891	58.09
2	A'	1806	1720	49.96
3	A'	1415	1348	34.85
4	A'	1355	1291	162.20
5	A'	1242	1183	221.39
6	A'	856	815	40.20
7	A'	711	677	33.31
8	A'	535	510	16.60
9	A'	437	416	4.50
10	A'	253	241	5.87
11	A"	1227	1169	309.73
12	A"	984	937	10.80
13	A"	536	510	1.88
14	A"	313	298	0.49
15	A"	73	69	10.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.361	0.000
C2	0.504	-1.096	0.000
O3	-0.259	-2.038	0.000
F4	-1.307	0.452	0.000
F5	0.504	0.991	1.088
F6	0.504	0.991	-1.088
H7	1.614	-1.189	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5352	2.4150	1.3308	1.3469	1.3469	2.2233
C2	1.5352		1.2119	2.3820	2.3537	2.3537	1.1144
O3	2.4150	1.2119		2.7006	3.3072	3.3072	2.0567
F4	1.3308	2.3820	2.7006		2.1801	2.1801	3.3505
F5	1.3469	2.3537	3.3072	2.1801		2.1767	2.6780
F6	1.3469	2.3537	3.3072	2.1801	2.1767		2.6780
H7	2.2233	1.1144	2.0567	3.3505	2.6780	2.6780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.634	C1	C2	H7	113.132
C2	C1	F4	112.234	C2	C1	F5	109.334
C2	C1	F6	109.334	O3	C2	H7	124.234
F4	C1	F5	109.014	F4	C1	F6	109.014
F5	C1	F6	107.809

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/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 CF3CHO (trifluoroacetaldehyde)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)