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	hartrees
Energy at 0K	-679.368321
Energy at 298.15K	-679.372298
HF Energy	-678.293931
Nuclear repulsion energy	276.438387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3011	13.53
2	A'	1407	1314	75.58
3	A'	1176	1098	249.50
4	A'	935	873	180.71
5	A'	852	795	67.63
6	A'	522	487	57.97
7	A'	489	457	74.46
8	A'	388	362	51.46
9	A'	274	256	0.99
10	A"	3334	3113	6.17
11	A"	1030	961	216.33
12	A"	822	767	1.24
13	A"	461	431	1.40
14	A"	371	346	16.07
15	A"	193	181	0.42

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.114	0.000
C2	-0.486	1.658	0.000
F3	1.449	-0.389	0.000
F4	-0.486	-0.696	1.223
F5	-0.486	-0.696	-1.223
H6	-0.514	2.190	-0.935
H7	-0.514	2.190	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6114	1.5564	1.5380	1.5380	2.3292	2.3292
C2	1.6114		2.8167	2.6528	2.6528	1.0760	1.0760
F3	1.5564	2.8167		2.3096	2.3096	3.3735	3.3735
F4	1.5380	2.6528	2.3096		2.4453	3.6039	2.9012
F5	1.5380	2.6528	2.3096	2.4453		2.9012	3.6039
H6	2.3292	1.0760	3.3735	3.6039	2.9012		1.8691
H7	2.3292	1.0760	3.3735	2.9012	3.6039	1.8691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.794	P1	C2	H7	118.794
C2	P1	F3	125.521	C2	P1	F4	114.746
C2	P1	F5	114.746	F3	P1	F4	96.557
F3	P1	F5	96.557	F4	P1	F5	105.303
H6	C2	H7	120.577

All results from a given calculation for PF₃CH₂ (phosphorane, trifluoromethylene-)

using model chemistry: CCD/cc-pVTZ

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 PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: CCD/cc-pVTZ

States and conformations

All results from a given calculation for PF₃CH₂ (phosphorane, trifluoromethylene-)