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	hartrees
Energy at 0K	-669.432988
Energy at 298.15K	-669.436256
HF Energy	-669.432988
Nuclear repulsion energy	264.286800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	2896	12.43
2	A'	1789	1461	3.20
3	A'	1146	936	31.30
4	A'	987	806	50.46
5	A'	883	721	64.10
6	A'	484	395	93.45
7	A'	401	328	6.58
8	A'	260	212	26.86
9	A'	205	168	32.87
10	A"	3704	3024	8.22
11	A"	1278	1044	7.48
12	A"	1024	836	37.12
13	A"	380	310	0.06
14	A"	281	229	53.92
15	A"	253	207	20.63

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.135	0.000
C2	-0.502	1.697	0.000
F3	1.489	-0.438	0.000
F4	-0.502	-0.706	1.283
F5	-0.502	-0.706	-1.283
H6	-0.505	2.223	-0.923
H7	-0.505	2.223	0.923

	P1	C2	F3	F4	F5	H6	H7
P1		1.6340	1.6171	1.6068	1.6068	2.3334	2.3334
C2	1.6340		2.9194	2.7239	2.7239	1.0622	1.0622
F3	1.6171	2.9194		2.3838	2.3838	3.4511	3.4511
F4	1.6068	2.7239	2.3838		2.5655	3.6666	2.9512
F5	1.6068	2.7239	2.3838	2.5655		2.9512	3.6666
H6	2.3334	1.0622	3.4511	3.6666	2.9512		1.8453
H7	2.3334	1.0622	3.4511	2.9512	3.6666	1.8453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.323	P1	C2	H7	118.323
C2	P1	F3	127.795	C2	P1	F4	114.384
C2	P1	F5	114.384	F3	P1	F4	95.362
F3	P1	F5	95.362	F4	P1	F5	105.941
H6	C2	H7	120.609

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

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	P	1.179
2	C	-0.428
3	F	-0.272
4	F	-0.252
5	F	-0.252
6	H	0.012
7	H	0.012

	x	y	z	Total
	1.873	-0.978	0.000	2.113
CHELPG
AIM
ESP

	x	y	z
x	2.250	-1.118	0.000
y	-1.118	3.735	0.000
z	0.000	0.000	2.339

<r²>	119.015
(<r²>)^1/2	10.909

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

using model chemistry: HF/STO-3G

States and conformations

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