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	hartrees
Energy at 0K	-670.870938
Energy at 298.15K	-670.873627
HF Energy	-670.870938
Nuclear repulsion energy	255.928207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3041	23.33
2	A'	1532	1400	1.64
3	A'	1091	997	68.94
4	A'	776	709	59.63
5	A'	689	630	38.50
6	A'	493	450	38.13
7	A'	355	324	18.49
8	A'	144	131	1.99
9	A'	80	73	36.60
10	A"	3492	3191	0.07
11	A"	1033	943	33.35
12	A"	834	762	33.78
13	A"	445	406	10.96
14	A"	292	267	16.45
15	A"	241	220	2.88

Atom	x (Å)	y (Å)	z (Å)
P1	-0.081	0.108	0.000
C2	-0.456	1.733	0.000
F3	1.503	-0.499	0.000
F4	-0.456	-0.665	1.460
F5	-0.456	-0.665	-1.460
H6	-0.682	2.223	-0.940
H7	-0.682	2.223	0.940

	P1	C2	F3	F4	F5	H6	H7
P1		1.6681	1.6965	1.6939	1.6939	2.3913	2.3913
C2	1.6681		2.9704	2.8074	2.8074	1.0840	1.0840
F3	1.6965	2.9704		2.4492	2.4492	3.6152	3.6152
F4	1.6939	2.8074	2.4492		2.9198	3.7616	2.9425
F5	1.6939	2.8074	2.4492	2.9198		2.9425	3.7616
H6	2.3913	1.0840	3.6152	3.7616	2.9425		1.8807
H7	2.3913	1.0840	3.6152	2.9425	3.7616	1.8807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.138	P1	C2	H7	119.138
C2	P1	F3	123.974	C2	P1	F4	113.238
C2	P1	F5	113.238	F3	P1	F4	92.506
F3	P1	F5	92.506	F4	P1	F5	119.056
H6	C2	H7	120.344

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

using model chemistry: PBEPBE/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	0.796
2	C	-0.449
3	F	-0.165
4	F	-0.153
5	F	-0.153
6	H	0.062
7	H	0.062

	x	y	z	Total
	0.902	-0.472	0.000	1.018
CHELPG
AIM
ESP

	x	y	z
x	2.176	-1.130	0.000
y	-1.130	4.148	0.000
z	0.000	0.000	2.814

<r²>	123.997
(<r²>)^1/2	11.135

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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