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	hartrees
Energy at 0K	-680.159636
Energy at 298.15K	-680.163460
HF Energy	-680.159636
Nuclear repulsion energy	272.671191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3067	13.68
2	A'	1388	1337	88.42
3	A'	1158	1115	219.90
4	A'	866	834	182.50
5	A'	787	758	107.17
6	A'	532	513	95.42
7	A'	463	446	59.70
8	A'	356	342	47.50
9	A'	253	244	0.90
10	A"	3290	3167	7.13
11	A"	975	939	236.06
12	A"	821	791	0.06
13	A"	448	432	0.00
14	A"	363	349	16.80
15	A"	202	195	1.71

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.123	0.000
C2	-0.495	1.663	0.000
F3	1.471	-0.416	0.000
F4	-0.495	-0.694	1.247
F5	-0.495	-0.694	-1.247
H6	-0.518	2.207	-0.935
H7	-0.518	2.207	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6104	1.5882	1.5643	1.5643	2.3367	2.3367
C2	1.6104		2.8615	2.6667	2.6667	1.0816	1.0816
F3	1.5882	2.8615		2.3448	2.3448	3.4222	3.4222
F4	1.5643	2.6667	2.3448		2.4948	3.6300	2.9178
F5	1.5643	2.6667	2.3448	2.4948		2.9178	3.6300
H6	2.3367	1.0816	3.4222	3.6300	2.9178		1.8693
H7	2.3367	1.0816	3.4222	2.9178	3.6300	1.8693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.147	P1	C2	H7	119.147
C2	P1	F3	126.912	C2	P1	F4	114.271
C2	P1	F5	114.271	F3	P1	F4	96.105
F3	P1	F5	96.105	F4	P1	F5	105.767
H6	C2	H7	119.565

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

using model chemistry: B3PW91/6-311G*

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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Number	Element	Mulliken
1	P	1.383
2	C	-0.974
3	F	-0.326
4	F	-0.316
5	F	-0.316
6	H	0.274
7	H	0.274

	x	y	z	Total
	0.042	0.852	0.000	0.853
CHELPG
AIM
ESP

	x	y	z
x	3.761	-0.706	0.000
y	-0.706	5.360	0.000
z	0.000	0.000	3.831

<r²>	114.114
(<r²>)^1/2	10.682

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

using model chemistry: B3PW91/6-311G*

States and conformations

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