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	hartrees
Energy at 0K	-450.785305
Energy at 298.15K	-450.787783
HF Energy	-449.602359
Nuclear repulsion energy	252.610743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3041	2884	53.22
2	A'	1808	1715	50.98
3	A'	1429	1356	33.81
4	A'	1355	1285	156.34
5	A'	1243	1179	225.14
6	A'	862	818	39.66
7	A'	717	681	35.06
8	A'	539	512	16.66
9	A'	440	417	4.58
10	A'	260	246	5.96
11	A"	1224	1161	307.31
12	A"	995	944	12.82
13	A"	541	513	1.72
14	A"	322	306	0.66
15	A"	74	70	11.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.361	0.000
C2	0.502	-1.094	0.000
O3	-0.257	-2.029	0.000
F4	-1.301	0.453	0.000
F5	0.502	0.985	1.085
F6	0.502	0.985	-1.085
H7	1.602	-1.188	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5321	2.4053	1.3245	1.3413	1.3413	2.2139
C2	1.5321		1.2044	2.3753	2.3449	2.3449	1.1040
O3	2.4053	1.2044		2.6919	3.2920	3.2920	2.0403
F4	1.3245	2.3753	2.6919		2.1707	2.1707	3.3347
F5	1.3413	2.3449	3.2920	2.1707		2.1693	2.6666
F6	1.3413	2.3449	3.2920	2.1707	2.1693		2.6666
H7	2.2139	1.1040	2.0403	3.3347	2.6666	2.6666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.589	C1	C2	H7	113.249
C2	C1	F4	112.314	C2	C1	F5	109.214
C2	C1	F6	109.214	O3	C2	H7	124.162
F4	C1	F5	109.033	F4	C1	F6	109.033
F5	C1	F6	107.933

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2=FULL/6-311G**

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=FULL/6-311G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)