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	hartrees
Energy at 0K	-450.425065
Energy at 298.15K	-450.427473
HF Energy	-449.481295
Nuclear repulsion energy	251.454516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	2897	47.24
2	A'	1803	1689	40.03
3	A'	1440	1349	31.06
4	A'	1371	1284	135.56
5	A'	1258	1178	204.40
6	A'	865	810	40.94
7	A'	706	661	33.14
8	A'	529	495	16.43
9	A'	433	405	4.31
10	A'	259	242	6.20
11	A"	1243	1164	281.48
12	A"	992	929	8.44
13	A"	527	494	1.80
14	A"	313	293	0.80
15	A"	66	62	11.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	0.358	0.000
C2	0.507	-1.090	0.000
O3	-0.266	-2.029	0.000
F4	-1.308	0.445	0.000
F5	0.507	0.989	1.093
F6	0.507	0.989	-1.093
H7	1.601	-1.193	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5270	2.4046	1.3349	1.3509	1.3509	2.2131
C2	1.5270		1.2159	2.3772	2.3489	2.3489	1.0994
O3	2.4046	1.2159		2.6840	3.3014	3.3014	2.0459
F4	1.3349	2.3772	2.6840		2.1875	2.1875	3.3393
F5	1.3509	2.3489	3.3014	2.1875		2.1850	2.6751
F6	1.3509	2.3489	3.3014	2.1875	2.1850		2.6751
H7	2.2131	1.0994	2.0459	3.3393	2.6751	2.6751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.069	C1	C2	H7	113.842
C2	C1	F4	112.158	C2	C1	F5	109.256
C2	C1	F6	109.256	O3	C2	H7	124.089
F4	C1	F5	109.069	F4	C1	F6	109.069
F5	C1	F6	107.939

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)