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	hartrees
Energy at 0K	-678.103872
Energy at 298.15K	-678.108026
HF Energy	-678.103872
Nuclear repulsion energy	276.959748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3366	3024	10.39
2	A'	1529	1374	71.82
3	A'	1229	1104	303.27
4	A'	988	887	224.62
5	A'	891	801	64.47
6	A'	628	564	133.65
7	A'	507	456	67.23
8	A'	418	376	45.72
9	A'	287	258	0.50
10	A"	3467	3115	3.38
11	A"	1089	978	264.63
12	A"	896	805	1.10
13	A"	473	425	0.99
14	A"	399	358	22.33
15	A"	191	172	0.21

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.117	0.000
C2	-0.482	1.653	0.000
F3	1.446	-0.389	0.000
F4	-0.482	-0.697	1.220
F5	-0.482	-0.697	-1.220
H6	-0.547	2.187	-0.927
H7	-0.547	2.187	0.927

	P1	C2	F3	F4	F5	H6	H7
P1		1.6036	1.5541	1.5368	1.5368	2.3284	2.3284
C2	1.6036		2.8092	2.6482	2.6482	1.0721	1.0721
F3	1.5541	2.8092		2.3027	2.3027	3.3871	3.3871
F4	1.5368	2.6482	2.3027		2.4400	3.5965	2.8998
F5	1.5368	2.6482	2.3027	2.4400		2.8998	3.5965
H6	2.3284	1.0721	3.3871	3.5965	2.8998		1.8549
H7	2.3284	1.0721	3.3871	2.8998	3.5965	1.8549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.637	P1	C2	H7	119.637
C2	P1	F3	125.644	C2	P1	F4	114.956
C2	P1	F5	114.956	F3	P1	F4	96.317
F3	P1	F5	96.317	F4	P1	F5	105.092
H6	C2	H7	119.782

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

using model chemistry: HF/6-31G*

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	1.565
2	C	-0.839
3	F	-0.397
4	F	-0.391
5	F	-0.391
6	H	0.227
7	H	0.227

	x	y	z	Total
	0.113	0.375	0.000	0.392
CHELPG
AIM
ESP

	x	y	z
x	3.307	-0.583	0.000
y	-0.583	4.733	0.000
z	0.000	0.000	3.474

<r²>	111.289
(<r²>)^1/2	10.549

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

using model chemistry: HF/6-31G*

States and conformations

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