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	hartrees
Energy at 0K	-679.999476
Energy at 298.15K	-680.003344
HF Energy	-679.659087
Nuclear repulsion energy	272.876290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3206	13.15
2	A'	1413	1413	75.20
3	A'	1163	1163	228.46
4	A'	871	871	182.39
5	A'	791	791	106.30
6	A'	540	540	95.75
7	A'	468	468	62.27
8	A'	361	361	48.69
9	A'	257	257	1.09
10	A"	3310	3310	6.17
11	A"	983	983	235.56
12	A"	836	836	0.58
13	A"	453	453	0.02
14	A"	367	367	18.79
15	A"	206	206	1.43

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.123	0.000
C2	-0.495	1.663	0.000
F3	1.471	-0.415	0.000
F4	-0.495	-0.694	1.246
F5	-0.495	-0.694	-1.246
H6	-0.517	2.205	-0.933
H7	-0.517	2.205	0.933

	P1	C2	F3	F4	F5	H6	H7
P1		1.6109	1.5863	1.5629	1.5629	2.3348	2.3348
C2	1.6109		2.8600	2.6655	2.6655	1.0793	1.0793
F3	1.5863	2.8600		2.3438	2.3438	3.4186	3.4186
F4	1.5629	2.6655	2.3438		2.4916	3.6263	2.9157
F5	1.5629	2.6655	2.3438	2.4916		2.9157	3.6263
H6	2.3348	1.0793	3.4186	3.6263	2.9157		1.8658
H7	2.3348	1.0793	3.4186	2.9157	3.6263	1.8658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.107	P1	C2	H7	119.107
C2	P1	F3	126.896	C2	P1	F4	114.237
C2	P1	F5	114.237	F3	P1	F4	96.184
F3	P1	F5	96.184	F4	P1	F5	105.707
H6	C2	H7	119.617

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

using model chemistry: B2PLYP=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 PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

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