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	hartrees
Energy at 0K	-680.032767
Energy at 298.15K	-680.036206
HF Energy	-680.032767
Nuclear repulsion energy	256.647539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3114	27.85
2	A'	1401	1348	20.81
3	A'	1092	1050	146.25
4	A'	776	746	178.75
5	A'	693	667	59.43
6	A'	650	626	72.48
7	A'	371	357	42.56
8	A'	252	243	28.43
9	A'	179	172	0.63
10	A"	3367	3239	15.12
11	A"	972	935	119.09
12	A"	825	793	31.96
13	A"	447	430	2.03
14	A"	308	296	18.74
15	A"	203	196	1.43

Atom	x (Å)	y (Å)	z (Å)
P1	-0.037	0.153	0.000
C2	-0.504	1.742	0.000
F3	1.534	-0.523	0.000
F4	-0.504	-0.697	1.377
F5	-0.504	-0.697	-1.377
H6	-0.581	2.260	-0.944
H7	-0.581	2.260	0.944

	P1	C2	F3	F4	F5	H6	H7
P1		1.6569	1.7100	1.6846	1.6846	2.3721	2.3721
C2	1.6569		3.0474	2.8015	2.8015	1.0794	1.0794
F3	1.7100	3.0474		2.4661	2.4661	3.6204	3.6204
F4	1.6846	2.8015	2.4661		2.7543	3.7601	2.9895
F5	1.6846	2.8015	2.4661	2.7543		2.9895	3.7601
H6	2.3721	1.0794	3.6204	3.7601	2.9895		1.8884
H7	2.3721	1.0794	3.6204	2.9895	3.7601	1.8884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.678	P1	C2	H7	118.678
C2	P1	F3	129.672	C2	P1	F4	113.940
C2	P1	F5	113.940	F3	P1	F4	93.183
F3	P1	F5	93.183	F4	P1	F5	109.672
H6	C2	H7	122.030

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

using model chemistry: B3LYP/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	1.318
2	C	-0.707
3	F	-0.355
4	F	-0.354
5	F	-0.354
6	H	0.226
7	H	0.226

	x	y	z	Total
	-0.566	2.482	0.000	2.545
CHELPG
AIM
ESP

	x	y	z
x	3.831	-0.968	0.000
y	-0.968	5.954	0.000
z	0.000	0.000	4.123

<r²>	126.100
(<r²>)^1/2	11.229

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

using model chemistry: B3LYP/6-31G

States and conformations

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