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	hartrees
Energy at 0K	-676.106193
Energy at 298.15K	-676.110005
HF Energy	-675.927980
Nuclear repulsion energy	265.026993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3107	20.78
2	A'	1456	1386	35.30
3	A'	1173	1117	183.00
4	A'	920	875	162.26
5	A'	787	749	30.95
6	A'	677	645	178.66
7	A'	422	402	53.42
8	A'	336	320	44.03
9	A'	239	228	0.21
10	A"	3375	3213	10.99
11	A"	1044	994	146.50
12	A"	901	858	0.54
13	A"	437	416	0.03
14	A"	344	327	26.15
15	A"	171	163	0.60

Atom	x (Å)	y (Å)	z (Å)
P1	-0.033	0.138	0.000
C2	-0.494	1.713	0.000
F3	1.502	-0.428	0.000
F4	-0.494	-0.721	1.295
F5	-0.494	-0.721	-1.295
H6	-0.587	2.236	-0.936
H7	-0.587	2.236	0.936

	P1	C2	F3	F4	F5	H6	H7
P1		1.6403	1.6359	1.6211	1.6211	2.3632	2.3632
C2	1.6403		2.9268	2.7564	2.7564	1.0763	1.0763
F3	1.6359	2.9268		2.3972	2.3972	3.5130	3.5130
F4	1.6211	2.7564	2.3972		2.5901	3.7053	2.9804
F5	1.6211	2.7564	2.3972	2.5901		2.9804	3.7053
H6	2.3632	1.0763	3.5130	3.7053	2.9804		1.8711
H7	2.3632	1.0763	3.5130	2.9804	3.7053	1.8711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.443	P1	C2	H7	119.443
C2	P1	F3	126.589	C2	P1	F4	115.378
C2	P1	F5	115.378	F3	P1	F4	94.783
F3	P1	F5	94.783	F4	P1	F5	106.047
H6	C2	H7	120.732

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

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

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